2-(N-ethyl-4-fluoroanilino)pentan-3-one

C13H18FNO — CID 64866058

IUPAC2-(N-ethyl-4-fluoroanilino)pentan-3-one
SMILESCCC(=O)C(C)N(CC)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-4-13(16)10(3)15(5-2)12-8-6-11(14)7-9-12/h6-10H,4-5H2,1-3H3
InChIKeyNCYZJDPODNJXKV-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.02
Rot. Bonds5

About 2-(N-ethyl-4-fluoroanilino)pentan-3-one

2-(N-ethyl-4-fluoroanilino)pentan-3-one (PubChem CID 64866058) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)pentan-3-one.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)pentan-3-one
PubChem CID64866058
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(N-ethyl-4-fluoroanilino)pentan-3-one
SMILESCCC(=O)C(C)N(CC)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-4-13(16)10(3)15(5-2)12-8-6-11(14)7-9-12/h6-10H,4-5H2,1-3H3
InChIKeyNCYZJDPODNJXKV-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 143204775
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
N-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
2-(4-fluoro-N-(4-fluorophenyl)anilino)propanoic acid
CID 139511058
2-[[ethyl-(4-fluorophenyl)carbamoyl]-methylamino]propanoic acid
CID 62639237
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
(2R)-2-(3,5-dichloro-N-ethylanilino)propanoic acid
CID 125045090
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)pentan-3-one?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)pentan-3-one (CID 64866058) is 2-(N-ethyl-4-fluoroanilino)pentan-3-one.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)pentan-3-one?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)pentan-3-one is CCC(=O)C(C)N(CC)c1ccc(F)cc1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)pentan-3-one?
The InChIKey is NCYZJDPODNJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-13(16)10(3)15(5-2)12-8-6-11(14)7-9-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-(N-ethyl-4-fluoroanilino)pentan-3-one?
2-(N-ethyl-4-fluoroanilino)pentan-3-one has a molecular weight of 223.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)pentan-3-one is sourced from PubChem (CID 64866058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).