2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide

C13H15F2NO2 — CID 126797423

IUPAC2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide
SMILESCC(O)(C(=O)NCc1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C13H15F2NO2/c1-13(18,9-2-3-9)12(17)16-7-8-4-10(14)6-11(15)5-8/h4-6,9,18H,2-3,7H2,1H3,(H,16,17)
InChIKeyUUIAIKCDFCMOIS-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.74
Rot. Bonds4

About 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide

2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide (PubChem CID 126797423) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide
PubChem CID126797423
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide
SMILESCC(O)(C(=O)NCc1cc(F)cc(F)c1)C1CC1
InChIInChI=1S/C13H15F2NO2/c1-13(18,9-2-3-9)12(17)16-7-8-4-10(14)6-11(15)5-8/h4-6,9,18H,2-3,7H2,1H3,(H,16,17)
InChIKeyUUIAIKCDFCMOIS-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide 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

2-cyclopropyl-2-hydroxy-N-[[4-(2-hydroxyethoxy)phenyl]methyl]propanamide
CID 126804916
3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)butan-2-one
CID 105411898
(3,5-difluorophenyl)methylurea
CID 112708056
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
2,2,2-trifluoro-N-[(3-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide
CID 86671686
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
(1R,3R,4S)-N-[(3,5-difluorophenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135096509
N-cyclopropyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108957398
1-(2-tert-butylsulfonylethyl)-3-[(3,5-difluorophenyl)methyl]urea
CID 75371389
1-[(3,5-difluorophenyl)methyl]-3-[(4S)-4-hydroxy-2,2-dimethylpentyl]urea
CID 97218930
[3-fluoro-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 124848654
1-(3,5-difluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446142

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide?
The IUPAC name of 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide (CID 126797423) is 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide?
The canonical SMILES for 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide is CC(O)(C(=O)NCc1cc(F)cc(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide?
The InChIKey is UUIAIKCDFCMOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-13(18,9-2-3-9)12(17)16-7-8-4-10(14)6-11(15)5-8/h4-6,9,18H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide?
2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide has a molecular weight of 255.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 126797423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).