Chemical ID: 4144166

COc1ccc(cc1Br)C=CC(=O)Nc2ccccc2
Chemical ID:
4144166
Name [?]:
3-(3-bromo-4-methoxy-phenyl)-N-phenyl-prop-2-enamide
SMILES [?]:
COc1ccc(cc1Br)C=CC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C16H14BrNO2/c1-20-15-9-7-12(11-14(15)17)8-10-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,5,10,4,11,7,6,15,8,3,12,9,14,13,2/E:(3,4)(5,6)/rA:20nCOCCCCCCBrCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;w10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14BrNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.36481
Area:471.212
Solvation:-3.41548
Coulombic:-29.8676
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:332.192
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):4.23

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