3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide

C15H21FN2O — CID 119514786

IUPAC3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCCN1)c1ccccc1F
InChIInChI=1S/C15H21FN2O/c1-11(13-6-2-3-7-14(13)16)9-15(19)18-10-12-5-4-8-17-12/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyWFZNBLSALMUBPS-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.19
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide

3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide (PubChem CID 119514786) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
PubChem CID119514786
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCCN1)c1ccccc1F
InChIInChI=1S/C15H21FN2O/c1-11(13-6-2-3-7-14(13)16)9-15(19)18-10-12-5-4-8-17-12/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,18,19)
InChIKeyWFZNBLSALMUBPS-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510877
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512158
N-[1-(2-fluorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119722793
1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906803
3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119510156
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
CID 119459616

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide (CID 119514786) is 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide is CC(CC(=O)NCC1CCCN1)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
The InChIKey is WFZNBLSALMUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(13-6-2-3-7-14(13)16)9-15(19)18-10-12-5-4-8-17-12/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide?
3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide has a molecular weight of 264.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide is sourced from PubChem (CID 119514786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).