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Chemical ID: 4985164

CC(=NNC(=O)CNC(=O)c1cccc(c1)Cl)c2ccc(cc2)c3ccccc3

Chemical ID:

4985164

Name [?]:

3-chloro-N-[1-(4-phenylphenyl)ethylideneaminocarbamoylmethyl]benzamide

SMILES [?]:

CC(=NNC(=O)CNC(=O)c1cccc(c1)Cl)c2ccc(cc2)c3ccccc3

InChi [?]:

InChI=1/C23H20ClN3O2/c1-16(17-10-12-19(13-11-17)18-6-3-2-4-7-18)26-27-22(28)15-25-23(29)20-8-5-9-21(24)14-20/h2-14H,15H2,1H3,(H,25,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,13,25,29,12,14,19,23,20,22,16,7,2,18,24,21,11,15,5,9,17,8,3,4,6,10/E:(3,4)(6,7)(10,11)(12,13)/rA:29nCCNNCOCNCOCCCCCCClCCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s2;s18;d19;s20;d21;d18s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀ClN₃O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5636
Area:	676.155
Solvation:	-4.34029
Coulombic:	-43.4907

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	405.877
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.87
LogP (Chemaxon):	4.0

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value