Chemical ID: 5562206

CC(CC(=O)Nc1ccc(c(c1)Cl)OC)c2ccccc2
Chemical ID:
5562206
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-3-phenyl-butanamide
SMILES [?]:
CC(CC(=O)Nc1ccc(c(c1)Cl)OC)c2ccccc2
InChi [?]:
InChI=1/C17H18ClNO2/c1-12(13-6-4-3-5-7-13)10-17(20)19-14-8-9-16(21-2)15(18)11-14/h3-9,11-12H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,19,18,20,17,21,8,9,3,12,2,16,7,11,10,4,13,6,5,14/E:(4,5)(6,7)/rA:21cCCCCONCCCCCCClOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s10;s14;s2;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.48452
Area:513.789
Solvation:-3.3602
Coulombic:-29.2879
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.783
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):4.21

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