N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C15H19FN2O3 — CID 110013792

IUPACN-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C(NC(=O)C2CC2)C(C)O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-8-3-6-12(11(16)7-8)17-15(21)13(9(2)19)18-14(20)10-4-5-10/h3,6-7,9-10,13,19H,4-5H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyLJTMAHLADNGTNZ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.35
Rot. Bonds5

About N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110013792) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110013792
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C(NC(=O)C2CC2)C(C)O)c(F)c1
InChIInChI=1S/C15H19FN2O3/c1-8-3-6-12(11(16)7-8)17-15(21)13(9(2)19)18-14(20)10-4-5-10/h3,6-7,9-10,13,19H,4-5H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyLJTMAHLADNGTNZ-UHFFFAOYSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-hydroxy-1-oxo-1-[2-(3,4,5-trifluorophenyl)ethylamino]butan-2-yl]cyclopropanecarboxamide
CID 110026638
N-[1-[(3-chloro-4-fluorophenyl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014441
N-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015453
N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014076
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
(3S)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055305
N-[(2S,3S)-1-(3-chloro-4-pyrrolidin-1-ylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 97342486
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110013792) is N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C(NC(=O)C2CC2)C(C)O)c(F)c1.
What is the InChIKey of N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is LJTMAHLADNGTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-8-3-6-12(11(16)7-8)17-15(21)13(9(2)19)18-14(20)10-4-5-10/h3,6-7,9-10,13,19H,4-5H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methylanilino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110013792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).