(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide

C16H24FN3O — CID 61174610

IUPAC(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-11(2)15(18)16(21)19-12-6-7-14(13(17)10-12)20-8-4-5-9-20/h6-7,10-11,15H,3-5,8-9,18H2,1-2H3,(H,19,21)/t11?,15-/m0/s1
InChIKeyOQBNMJWCHXRHLN-MHTVFEQDSA-N
MW293.39 g/mol
LogP2.74
Rot. Bonds5

About (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide

(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide (PubChem CID 61174610) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
PubChem CID61174610
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-11(2)15(18)16(21)19-12-6-7-14(13(17)10-12)20-8-4-5-9-20/h6-7,10-11,15H,3-5,8-9,18H2,1-2H3,(H,19,21)/t11?,15-/m0/s1
InChIKeyOQBNMJWCHXRHLN-MHTVFEQDSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide 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

(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
2-amino-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-3-methylpentanamide;hydrochloride
CID 119796623
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
tert-butyl 4-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-fluorophenyl]piperazine-1-carboxylate
CID 59144397
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(2-methylpropyl)urea
CID 47264829
2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 116676043
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide (CID 61174610) is (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide?
The InChIKey is OQBNMJWCHXRHLN-MHTVFEQDSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-11(2)15(18)16(21)19-12-6-7-14(13(17)10-12)20-8-4-5-9-20/h6-7,10-11,15H,3-5,8-9,18H2,1-2H3,(H,19,21)/t11?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide?
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide has a molecular weight of 293.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide is sourced from PubChem (CID 61174610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).