N-(2,4-difluorophenyl)prop-2-enamide

C9H7F2NO — CID 23202681

IUPACN-(2,4-difluorophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C9H7F2NO/c1-2-9(13)12-8-4-3-6(10)5-7(8)11/h2-5H,1H2,(H,12,13)
InChIKeyLYVPSMRHONPMRW-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.09
Rot. Bonds2

About N-(2,4-difluorophenyl)prop-2-enamide

N-(2,4-difluorophenyl)prop-2-enamide (PubChem CID 23202681) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)prop-2-enamide
PubChem CID23202681
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC NameN-(2,4-difluorophenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C9H7F2NO/c1-2-9(13)12-8-4-3-6(10)5-7(8)11/h2-5H,1H2,(H,12,13)
InChIKeyLYVPSMRHONPMRW-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.09
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

N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
[5-fluoro-2-(prop-2-enoylamino)phenyl]boronic acid
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CID 3596826
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
CID 166408328
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
(E)-4-[(2,4-difluorophenyl)carbamoylamino]-4-oxobut-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)prop-2-enamide?
The IUPAC name of N-(2,4-difluorophenyl)prop-2-enamide (CID 23202681) is N-(2,4-difluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2,4-difluorophenyl)prop-2-enamide?
The canonical SMILES for N-(2,4-difluorophenyl)prop-2-enamide is C=CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)prop-2-enamide?
The InChIKey is LYVPSMRHONPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-2-9(13)12-8-4-3-6(10)5-7(8)11/h2-5H,1H2,(H,12,13).
What are the key properties of N-(2,4-difluorophenyl)prop-2-enamide?
N-(2,4-difluorophenyl)prop-2-enamide has a molecular weight of 183.16 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 23202681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).