Chemical ID: 5780646

CCCCc1cccc(c1)NC(=O)c2ccc(cc2)Cl
Chemical ID:
5780646
Name [?]:
N-(3-butylphenyl)-4-chloro-benzamide
SMILES [?]:
CCCCc1cccc(c1)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO/c1-2-3-5-13-6-4-7-16(12-13)19-17(20)14-8-10-15(18)11-9-14/h4,6-12H,2-3,5H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,7,4,6,8,15,19,16,18,10,5,14,17,9,12,20,11,13/E:(8,9)(10,11)/rA:20nCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.1182
Area:515.644
Solvation:-1.77285
Coulombic:-24.6912
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.784
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.65
LogP (Chemaxon):5.28

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