Chemical ID: 4481803

COc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)OC
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

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Descriptor Annotations

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