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

C16H24FN3O — CID 60928269

IUPAC2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-8-16(2,18)15(21)19-12-6-7-14(13(17)11-12)20-9-4-5-10-20/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,19,21)
InChIKeyGDVIAJSSAKVHHK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.88
Rot. Bonds5

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

2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide (PubChem CID 60928269) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide
PubChem CID60928269
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-3-8-16(2,18)15(21)19-12-6-7-14(13(17)11-12)20-9-4-5-10-20/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,19,21)
InChIKeyGDVIAJSSAKVHHK-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride
CID 119764617
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide (CID 60928269) is 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide?
The InChIKey is GDVIAJSSAKVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-8-16(2,18)15(21)19-12-6-7-14(13(17)11-12)20-9-4-5-10-20/h6-7,11H,3-5,8-10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide?
2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide has a molecular weight of 293.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide is sourced from PubChem (CID 60928269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).