N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C17H23FN2O3 — CID 110013976

IUPACN-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H23FN2O3/c1-10(13-6-4-5-7-14(13)18)20(3)17(23)15(11(2)21)19-16(22)12-8-9-12/h4-7,10-12,15,21H,8-9H2,1-3H3,(H,19,22)
InChIKeySTTUNQYZIGCYLR-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.62
Rot. Bonds6

About N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110013976) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110013976
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H23FN2O3/c1-10(13-6-4-5-7-14(13)18)20(3)17(23)15(11(2)21)19-16(22)12-8-9-12/h4-7,10-12,15,21H,8-9H2,1-3H3,(H,19,22)
InChIKeySTTUNQYZIGCYLR-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014606
N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015083
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014380
(2S)-2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 62985653
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
cis-(1R,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124778911
trans-(1S,3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552997

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110013976) is N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(O)C(NC(=O)C1CC1)C(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is STTUNQYZIGCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-10(13-6-4-5-7-14(13)18)20(3)17(23)15(11(2)21)19-16(22)12-8-9-12/h4-7,10-12,15,21H,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110013976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).