Chemical ID: 6342302

CCOC(=O)c1ccccc1NC(=O)COc2ccc(cc2)Cl
Chemical ID:
6342302
Name [?]:
ethyl 2-[2-(4-chlorophenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClNO4/c1-2-22-17(21)14-5-3-4-6-15(14)19-16(20)11-23-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,10,19,21,18,22,15,20,17,6,11,13,4,23,12,14,5,3,16/E:(7,8)(9,10)/rA:23nCCOCOCCCCCCNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.58266
Area:553.196
Solvation:-4.24724
Coulombic:-49.3274
Bond Count [?]
All:24
Single:16
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.766
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.09
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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