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Chemical ID: 6326570

Chemical ID:

6326570

Name [?]:

N-(benzylideneaminocarbamoylmethyl)-2-chloro-benzamide

SMILES [?]:

c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Cl

InChi [?]:

InChI=1/C16H14ClN3O2/c17-14-9-5-4-8-13(14)16(22)18-11-15(21)20-19-10-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,7,12,4,16,21,10,14,22,13,8,9,11,15/E:(2,3)(6,7)/rA:22nCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClN₃O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.16912
Area:	527.145
Solvation:	-4.00951
Coulombic:	-42.0222

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	315.754
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.79
LogP (Chemaxon):	2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value