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Chemical ID: 6632927

CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)Cl

Chemical ID:

6632927

Name [?]:

4-butoxy-N-[(4-chlorophenyl)methyleneaminocarbamoylmethyl]benzamide

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)Cl

InChi [?]:

InChI=1/C20H22ClN3O3/c1-2-3-12-27-18-10-6-16(7-11-18)20(26)22-14-19(25)24-23-13-15-4-8-17(21)9-5-15/h4-11,13H,2-3,12,14H2,1H3,(H,22,26)(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,22,26,8,10,23,25,7,11,4,20,15,21,9,24,6,16,12,27,14,19,18,17,13,5/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCOCCCCCCCONCCONNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂ClN₃O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3444
Area:	658.985
Solvation:	-5.13027
Coulombic:	-49.3588

Bond Count [?]

All:	28
Single:	19
Double:	9
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	387.86
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.05
LogP (Chemaxon):	3.64

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

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Chemical Mix	Source	External ID	Descriptor	Value