N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide

C14H19FN2O — CID 110361779

IUPACN-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10(2)14(18)16-13-9-11(5-6-12(13)15)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyPEXOTSFVZPZJDC-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.02
Rot. Bonds3

About N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide (PubChem CID 110361779) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
PubChem CID110361779
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10(2)14(18)16-13-9-11(5-6-12(13)15)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyPEXOTSFVZPZJDC-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575
N-(2-fluoro-5-piperidin-1-ylphenyl)propanamide
CID 110362225
(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 25389306
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3-(2-methoxyphenyl)propanamide
CID 110361842
N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 45355486
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 110361789
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 110362244
N-(2-fluoro-5-piperidin-1-ylphenyl)furan-2-carboxamide
CID 110362234
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide?
The IUPAC name of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide (CID 110361779) is N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(N2CCCC2)ccc1F.
What is the InChIKey of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide?
The InChIKey is PEXOTSFVZPZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(2)14(18)16-13-9-11(5-6-12(13)15)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide?
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide has a molecular weight of 250.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 110361779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).