Chemical ID: 4585678

c1ccc(cc1)CNC(=O)C=Cc2ccccc2
Chemical ID:
4585678
Name [?]:
N-benzyl-3-phenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C=Cc2ccccc2
InChi [?]:
InChI=1/C16H15NO/c18-16(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-12H,13H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,1,15,17,2,6,14,18,3,5,12,11,7,13,4,9,8,10/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCNCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.80406
Area:440.547
Solvation:-2.20962
Coulombic:-24.5999
Bond Count [?]
All:19
Single:11
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:237.296
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.41
LogP (Chemaxon):3.31

Name Annotations

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Descriptor Annotations

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