(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide

C16H13F2NO — CID 6140397

IUPAC(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2NO/c1-11(9-12-5-3-2-4-6-12)16(20)19-13-7-8-14(17)15(18)10-13/h2-10H,1H3,(H,19,20)/b11-9+
InChIKeyJWAWKWFBWADFON-PKNBQFBNSA-N
MW273.28 g/mol
LogP4.01
Rot. Bonds3

About (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide

(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 6140397) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
PubChem CID6140397
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2NO/c1-11(9-12-5-3-2-4-6-12)16(20)19-13-7-8-14(17)15(18)10-13/h2-10H,1H3,(H,19,20)/b11-9+
InChIKeyJWAWKWFBWADFON-PKNBQFBNSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
CID 4947913
N-(3,4-difluorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 44998787
(E)-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-phenylprop-2-enamide
CID 110616348
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
2-methyl-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 4153463
(E)-3-(3,5-diaminophenyl)-2-methyl-N-(4-phenylphenyl)prop-2-enamide
CID 145084891
(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 110618434
(E)-1-(2,5-difluorophenyl)-2-methyl-3-phenylprop-2-en-1-one
CID 59347721
2-benzylidene-N-(3-methylphenyl)-3-oxobutanamide
CID 78119677

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide (CID 6140397) is (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is JWAWKWFBWADFON-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-11(9-12-5-3-2-4-6-12)16(20)19-13-7-8-14(17)15(18)10-13/h2-10H,1H3,(H,19,20)/b11-9+.
What are the key properties of (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide?
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 273.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6140397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).