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Chemical ID: 4481803
Chemical ID:
4481803
Name [?]:
methyl 4-chloro-3-(4-methoxybenzoyl)amino-benzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)OC
InChi [?]:
InChI=1/C16H14ClNO4/c1-21-12-6-3-10(4-7-12)15(19)18-14-9-11(16(20)22-2)5-8-13(14)17/h3-9H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,5,7,15,4,8,16,13,6,14,3,17,12,9,19,18,11,10,20,2,21/E:(3,4)(6,7)/rA:22nCOCCCCCCCONCCCCCCClCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14253 |
Area: | 519.922 |
Solvation: | -3.85553 |
Coulombic: | -49.1863 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.47 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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