Chemical ID: 4201075

CC(C(=O)NCc1ccccc1Cl)Oc2ccccc2
Chemical ID:
4201075
Name [?]:
N-[(2-chlorophenyl)methyl]-2-phenoxy-propanamide
SMILES [?]:
CC(C(=O)NCc1ccccc1Cl)Oc2ccccc2
InChi [?]:
InChI=1/C16H16ClNO2/c1-12(20-14-8-3-2-4-9-14)16(19)18-11-13-7-5-6-10-15(13)17/h2-10,12H,11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,9,10,8,16,20,11,6,2,7,15,12,3,13,5,4,14/E:(3,4)(8,9)/rA:20cCCCONCCCCCCCClOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s2;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.99873
Area:497.414
Solvation:-3.43663
Coulombic:-32.1796
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.756
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):3.55

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