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Chemical ID: 4285318
Chemical ID:
4285318
Name [?]:
methyl 2-(4-methoxybenzoyl)aminobenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccccc2C(=O)OC
InChi [?]:
InChI=1/C16H15NO4/c1-20-12-9-7-11(8-10-12)15(18)17-14-6-4-3-5-13(14)16(19)21-2/h3-10H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,15,14,16,13,5,7,4,8,6,3,17,12,9,18,11,10,19,2,20/E:(7,8)(9,10)/rA:21nCOCCCCCCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49538 |
Area: | 479.45 |
Solvation: | -3.49087 |
Coulombic: | -49.6386 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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