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Chemical ID: 6882844

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl

Chemical ID:

6882844

Name [?]:

N-(4-butylphenyl)-4-[(3-chlorophenyl)carbamoylmethoxy]benzamide

SMILES [?]:

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3)Cl

InChi [?]:

InChI=1/C25H25ClN2O3/c1-2-3-5-18-8-12-21(13-9-18)28-25(30)19-10-14-23(15-11-19)31-17-24(29)27-22-7-4-6-20(26)16-22/h4,6-16H,2-3,5,17H2,1H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,2,3,27,4,28,26,6,10,15,19,7,9,16,18,30,21,5,14,29,8,25,17,22,12,31,24,11,23,13,20/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅ClN₂O₃
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7362
Area:	717.532
Solvation:	-5.20207
Coulombic:	-51.5745

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.93
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	6.31
LogP (Chemaxon):	6.11

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