2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide

C13H19FN2O2 — CID 60788030

IUPAC2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
SMILESCOc1ccc(C(C)(NC(C)C)C(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-8(2)16-13(3,12(15)17)9-5-6-11(18-4)10(14)7-9/h5-8,16H,1-4H3,(H2,15,17)
InChIKeyZNPLCKZAABICBS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.53
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide

2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide (PubChem CID 60788030) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
PubChem CID60788030
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
SMILESCOc1ccc(C(C)(NC(C)C)C(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-8(2)16-13(3,12(15)17)9-5-6-11(18-4)10(14)7-9/h5-8,16H,1-4H3,(H2,15,17)
InChIKeyZNPLCKZAABICBS-UHFFFAOYSA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide 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-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
methyl 2-(3,4-difluorophenyl)-2-(propan-2-ylamino)propanoate
CID 54919578
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
CID 62214650
2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
CID 54908455
2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide
CID 107707483
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide (CID 60788030) is 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide is COc1ccc(C(C)(NC(C)C)C(N)=O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is ZNPLCKZAABICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)16-13(3,12(15)17)9-5-6-11(18-4)10(14)7-9/h5-8,16H,1-4H3,(H2,15,17).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide?
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 254.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60788030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).