N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide

C18H19FN2O — CID 119815281

IUPACN-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(F)c1)C1CCNC1
InChIInChI=1S/C18H19FN2O/c19-16-8-4-7-14(11-16)17(13-5-2-1-3-6-13)21-18(22)15-9-10-20-12-15/h1-8,11,15,17,20H,9-10,12H2,(H,21,22)
InChIKeyCUUNGIDALAYBLP-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.64
Rot. Bonds4

About N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide

N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide (PubChem CID 119815281) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
PubChem CID119815281
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(F)c1)C1CCNC1
InChIInChI=1S/C18H19FN2O/c19-16-8-4-7-14(11-16)17(13-5-2-1-3-6-13)21-18(22)15-9-10-20-12-15/h1-8,11,15,17,20H,9-10,12H2,(H,21,22)
InChIKeyCUUNGIDALAYBLP-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810409
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119810410
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119797007
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide (CID 119815281) is N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide is O=C(NC(c1ccccc1)c1cccc(F)c1)C1CCNC1.
What is the InChIKey of N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
The InChIKey is CUUNGIDALAYBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-8-4-7-14(11-16)17(13-5-2-1-3-6-13)21-18(22)15-9-10-20-12-15/h1-8,11,15,17,20H,9-10,12H2,(H,21,22).
What are the key properties of N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119815281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).