Chemical ID: 7516367

COC(=O)c1ccc(c(c1)NC(=O)Cc2ccccc2)Cl
Chemical ID:
7516367
Name [?]:
methyl 4-chloro-3-(2-phenylacetyl)amino-benzoate
SMILES [?]:
COC(=O)c1ccc(c(c1)NC(=O)Cc2ccccc2)Cl
InChi [?]:
InChI=1/C16H14ClNO3/c1-21-16(20)12-7-8-13(17)14(10-12)18-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,6,7,14,10,15,5,8,9,12,3,21,11,13,4,2/E:(3,4)(5,6)/rA:21nCOCOCCCCCCNCOCCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClNO3
All Atoms:35
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:9.51949
Area:507.6
Solvation:-3.17052
Coulombic:-41.2429
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.36
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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