Chemical ID: 6948650

CCC(C)c1ccccc1NC(=O)c2cccc(c2)Cl
Chemical ID:
6948650
Name [?]:
3-chloro-N-(2-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C17H18ClNO/c1-3-12(2)15-9-4-5-10-16(15)19-17(20)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,7,8,16,15,17,6,9,19,3,14,18,5,10,12,20,11,13/rA:20cCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO
All Atoms:38
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.7214
Area:497.424
Solvation:-1.71416
Coulombic:-24.7802
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.784
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.38
LogP (Chemaxon):4.56

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