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Chemical ID: 6964211

Chemical ID:

6964211

Name [?]:

N-[1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyphenyl)amino-acetamide

SMILES [?]:

CC(=NNC(=O)CNc1ccccc1OC)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C17H18ClN3O2/c1-12(13-7-9-14(18)10-8-13)20-21-17(22)11-19-15-5-3-4-6-16(15)23-2/h3-10,19H,11H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,16,11,12,10,13,18,22,19,21,7,2,17,20,9,14,5,23,8,3,4,6,15/E:(7,8)(9,10)/rA:23nCCNNCOCNCCCCCCOCCCCCCCCl/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s2;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈ClN₃O₂
All Atoms:	41
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.7052
Area:	569.983
Solvation:	-5.54438
Coulombic:	-38.4685

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	331.797
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.09
LogP (Chemaxon):	2.74

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