1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide

C18H19FN2O — CID 127266063

IUPAC1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H19FN2O/c19-16-9-5-4-6-14(16)12-21-11-10-18(13-21,17(20)22)15-7-2-1-3-8-15/h1-9H,10-13H2,(H2,20,22)
InChIKeyHENNXEKXZSGTPA-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.45
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide (PubChem CID 127266063) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide
PubChem CID127266063
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H19FN2O/c19-16-9-5-4-6-14(16)12-21-11-10-18(13-21,17(20)22)15-7-2-1-3-8-15/h1-9H,10-13H2,(H2,20,22)
InChIKeyHENNXEKXZSGTPA-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
CID 82114659
2-[9-[(2-fluorophenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70754294
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
CID 136568444
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 42307959
1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964595
1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 146144702
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide (CID 127266063) is 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide is NC(=O)C1(c2ccccc2)CCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide?
The InChIKey is HENNXEKXZSGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-9-5-4-6-14(16)12-21-11-10-18(13-21,17(20)22)15-7-2-1-3-8-15/h1-9H,10-13H2,(H2,20,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 127266063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).