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Chemical ID: 6843397

Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

Chemical ID:

6843397

Name [?]:

N-(4-chlorophenyl)-4-(p-tolylcarbamoylmethoxy)benzamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H19ClN2O3/c1-15-2-8-18(9-3-15)24-21(26)14-28-20-12-4-16(5-13-20)22(27)25-19-10-6-17(23)7-11-19/h2-13H,14H2,1H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,3,7,15,17,24,26,4,6,23,27,14,18,11,2,16,25,5,22,13,9,19,28,8,21,10,20,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:28nCCCCCCCNCOCOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉ClN₂O₃
All Atoms:	47
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.78
Area:	638.503
Solvation:	-5.1826
Coulombic:	-50.5371

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	394.851
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.7
LogP (Chemaxon):	4.92

Name Annotations

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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