5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide

C14H14FNO2 — CID 4290851

IUPAC5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FNO2/c1-9(2)16-14(17)13-8-7-12(18-13)10-3-5-11(15)6-4-10/h3-9H,1-2H3,(H,16,17)
InChIKeyGKZMEMIASIEFRC-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.22
Rot. Bonds3

About 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide

5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide (PubChem CID 4290851) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
PubChem CID4290851
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FNO2/c1-9(2)16-14(17)13-8-7-12(18-13)10-3-5-11(15)6-4-10/h3-9H,1-2H3,(H,16,17)
InChIKeyGKZMEMIASIEFRC-UHFFFAOYSA-N
XLogP3.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 94317037
methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
CID 3646174
5-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 51185180
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
(2R)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]pentanedioic acid
CID 40814315
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 51475340
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 51182582
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-propan-2-ylfuran-2-carboxamide
CID 1253325
methyl 3-(3-fluoro-4-iodophenyl)-2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 66630459

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide (CID 4290851) is 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is GKZMEMIASIEFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9(2)16-14(17)13-8-7-12(18-13)10-3-5-11(15)6-4-10/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide?
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 4290851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).