N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide

C17H16FNO — CID 78774303

IUPACN-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
SMILESCN(Cc1ccccc1)C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C17H16FNO/c1-19(13-15-6-3-2-4-7-15)17(20)11-10-14-8-5-9-16(18)12-14/h2-12H,13H2,1H3
InChIKeyGDEGJFNJICWOAA-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.50
Rot. Bonds4

About N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide

N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide (PubChem CID 78774303) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
PubChem CID78774303
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC NameN-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
SMILESCN(Cc1ccccc1)C(=O)C=Cc1cccc(F)c1
InChIInChI=1S/C17H16FNO/c1-19(13-15-6-3-2-4-7-15)17(20)11-10-14-8-5-9-16(18)12-14/h2-12H,13H2,1H3
InChIKeyGDEGJFNJICWOAA-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-methylamino]propanoic acid
CID 60989553
(E)-N-[(4-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 55742689
(E)-3-(2-bromophenyl)-N-[(3-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 78781520
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46540605
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 60830344
(E)-3-(3-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
CID 115759765
N-benzyl-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 78774345
(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
CID 84554353
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 40605985
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide?
The IUPAC name of N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide (CID 78774303) is N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide is CN(Cc1ccccc1)C(=O)C=Cc1cccc(F)c1.
What is the InChIKey of N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide?
The InChIKey is GDEGJFNJICWOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-19(13-15-6-3-2-4-7-15)17(20)11-10-14-8-5-9-16(18)12-14/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide?
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide has a molecular weight of 269.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 78774303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).