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Chemical ID: 5517942

Chemical ID:

5517942

Name [?]:

3-chloro-N-[(2-chlorophenyl)methyl]benzamide

SMILES [?]:

c1ccc(c(c1)CNC(=O)c2cccc(c2)Cl)Cl

InChi [?]:

InChI=1/C14H11Cl2NO/c15-12-6-3-5-10(8-12)14(18)17-9-11-4-1-2-7-13(11)16/h1-8H,9H2,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,13,6,12,14,3,16,7,11,5,15,4,9,17,18,8,10/rA:18nCCCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁Cl₂NO
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	10.014
Area:	469.228
Solvation:	-1.71666
Coulombic:	-25.3288

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	280.149
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.38
LogP (Chemaxon):	3.76

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value