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Chemical ID: 6839063

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COc3ccc(cc3)C(=O)Nc4ccccc4Cl

Chemical ID:

6839063

Name [?]:

N-(2-chlorophenyl)-4-[(4-phenoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COc3ccc(cc3)C(=O)Nc4ccccc4Cl

InChi [?]:

InChI=1/C27H21ClN2O4/c28-24-8-4-5-9-25(24)30-27(32)19-10-14-21(15-11-19)33-18-26(31)29-20-12-16-23(17-13-20)34-22-6-2-1-3-7-22/h1-17H,18H2,(H,29,31)(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,2,6,31,30,3,5,32,29,21,23,10,12,20,24,9,13,17,22,11,19,4,8,33,28,15,25,34,14,27,16,26,18,7/E:(2,3)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:34nCCCCCCOCCCCCCNCOCOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₁ClN₂O₄
All Atoms:	55
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1866
Area:	724.027
Solvation:	-5.91404
Coulombic:	-59.6109

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	472.919
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.75
LogP (Chemaxon):	5.23

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value