Chemical ID: 4151518

Cc1c(cccc1Cl)NC(=O)CCCOc2ccccc2
Chemical ID:
4151518
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-phenoxy-butanamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C17H18ClNO2/c1-13-15(18)9-5-10-16(13)19-17(20)11-6-12-21-14-7-3-2-4-8-14/h2-5,7-10H,6,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,5,13,17,21,6,4,12,14,2,16,7,3,10,8,9,11,15/E:(3,4)(7,8)/rA:21nCCCCCCCClNCOCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.5142
Area:521.065
Solvation:-3.51242
Coulombic:-28.9854
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.783
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):3.64

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