2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C15H21FN2O — CID 51090077

IUPAC2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccccc2F)C1
InChIInChI=1S/C15H21FN2O/c1-11(2)18-8-7-12(10-18)9-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeySKGCPQDECCCDII-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.29
Rot. Bonds4

About 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 51090077) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID51090077
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2ccccc2F)C1
InChIInChI=1S/C15H21FN2O/c1-11(2)18-8-7-12(10-18)9-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeySKGCPQDECCCDII-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 51090077) is 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CC(C)N1CCC(CNC(=O)c2ccccc2F)C1.
What is the InChIKey of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is SKGCPQDECCCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(2)18-8-7-12(10-18)9-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 264.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 51090077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).