Chemical ID: 6146896

Cc1ccc(cc1C)C(=O)OCC(=O)Nc2ccccc2Cl
Chemical ID:
6146896
Name [?]:
(2-chlorophenyl)carbamoylmethyl 3,4-dimethylbenzoate
SMILES [?]:
Cc1ccc(cc1C)C(=O)OCC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C17H16ClNO3/c1-11-7-8-13(9-12(11)2)17(21)22-10-16(20)19-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,19,18,20,17,3,4,6,12,2,7,5,21,16,13,9,22,15,14,10,11/rA:22nCCCCCCCCCOOCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClNO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4383
Area:531.988
Solvation:-2.86135
Coulombic:-42.7544
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:4.19
LogP (Chemaxon):3.48

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Descriptor Annotations

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