N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide

C13H10FNO2 — CID 166408328

IUPACN-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccco2)cc1F
InChIInChI=1S/C13H10FNO2/c1-2-13(16)15-11-6-5-9(8-10(11)14)12-4-3-7-17-12/h2-8H,1H2,(H,15,16)
InChIKeyJIHNIOLJMGYFJF-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.21
Rot. Bonds3

About N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide

N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide (PubChem CID 166408328) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
PubChem CID166408328
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC NameN-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccco2)cc1F
InChIInChI=1S/C13H10FNO2/c1-2-13(16)15-11-6-5-9(8-10(11)14)12-4-3-7-17-12/h2-8H,1H2,(H,15,16)
InChIKeyJIHNIOLJMGYFJF-UHFFFAOYSA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681
3-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-1-prop-2-enylurea
CID 100625980
methyl (3S)-1-[[2-fluoro-4-(furan-2-yl)phenyl]carbamoyl]piperidine-3-carboxylate
CID 125139865
2-fluoro-5-(furan-2-yl)-N-methylbenzamide
CID 168525507
2-fluoro-4-(furan-2-yl)benzonitrile
CID 130938678
5-chloro-N-[2-fluoro-5-(furan-2-yl)phenyl]furan-2-carboxamide
CID 100626853
3-fluoro-4-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid
CID 76988155
N-[2-chloro-4-(furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 168527698
2-[2-fluoro-4-(furan-2-yl)anilino]-N,N-dimethylpropane-1-sulfonamide
CID 146104418
N-[4-(furan-2-yl)-2-methylphenyl]thiophene-2-carboxamide
CID 168526286
1-[2-fluoro-4-(furan-2-yl)phenyl]pyrazole-3-carboxylic acid
CID 168527856
2-(4-fluoro-3-methylphenyl)furan
CID 135296198

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide (CID 166408328) is N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2ccco2)cc1F.
What is the InChIKey of N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide?
The InChIKey is JIHNIOLJMGYFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-2-13(16)15-11-6-5-9(8-10(11)14)12-4-3-7-17-12/h2-8H,1H2,(H,15,16).
What are the key properties of N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide?
N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide has a molecular weight of 231.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(furan-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 166408328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).