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Chemical ID: 6521428
Chemical ID:
6521428
Name [?]:
methyl 4-chloro-2-(2-methylbenzoyl)amino-benzoate
SMILES [?]:
Cc1ccccc1C(=O)Nc2cc(ccc2C(=O)OC)Cl
InChi [?]:
InChI=1/C16H14ClNO3/c1-10-5-3-4-6-12(10)15(19)18-14-9-11(17)7-8-13(14)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,4,5,3,6,14,15,12,2,13,7,16,11,8,17,21,10,9,18,19/rA:21nCCCCCCCCONCCCCCCCOOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0881 |
Area: | 492.074 |
Solvation: | -2.21377 |
Coulombic: | -43.1734 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.74 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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