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Chemical ID: 7516367
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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