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Chemical ID: 4289231

Chemical ID:

4289231

Name [?]:

4-chloro-N-(3-pyridylmethyleneaminocarbamoylmethyl)benzamide

SMILES [?]:

c1cc(cnc1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C15H13ClN4O2/c16-13-5-3-12(4-6-13)15(22)18-10-14(21)20-19-9-11-2-1-7-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,17,21,18,20,6,4,7,12,3,16,19,10,14,22,5,13,8,9,11,15/E:(3,4)(5,6)/rA:22nCCCCNCCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃ClN₄O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.89606
Area:	537.933
Solvation:	-4.55227
Coulombic:	-44.9632

Bond Count [?]

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

Chemical Properties

Molecular Weight:	316.742
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.54
LogP (Chemaxon):	1.37

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