Chemical ID: 4737854

CCOC(=O)c1cc(ccc1NC(=O)c2ccc(cc2)Cl)C
Chemical ID:
4737854
Name [?]:
ethyl 2-(4-chlorobenzoyl)amino-5-methyl-benzoate
SMILES [?]:
CCOC(=O)c1cc(ccc1NC(=O)c2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C17H16ClNO3/c1-3-22-17(21)14-10-11(2)4-9-15(14)19-16(20)12-5-7-13(18)8-6-12/h4-10H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,9,16,20,17,19,10,7,8,15,18,6,11,13,4,21,12,14,5,3/E:(5,6)(7,8)/rA:22nCCOCOCCCCCCNCOCCCCCCClC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.0858
Area:527.919
Solvation:-2.11219
Coulombic:-43.5712
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.767
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.84
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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