N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide

C15H21FN2O — CID 47311900

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-15(2,3)14(19)17-11-6-7-13(12(16)10-11)18-8-4-5-9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyWNZUKZWXTVKTET-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.41
Rot. Bonds2

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide (PubChem CID 47311900) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
PubChem CID47311900
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-15(2,3)14(19)17-11-6-7-13(12(16)10-11)18-8-4-5-9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyWNZUKZWXTVKTET-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methylpentanamide
CID 60928269
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
2,2-dimethyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 771523
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(2-methylpropyl)urea
CID 47264829
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide (CID 47311900) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide?
The InChIKey is WNZUKZWXTVKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2,3)14(19)17-11-6-7-13(12(16)10-11)18-8-4-5-9-18/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide has a molecular weight of 264.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 47311900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).