2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide

C13H17FN2O — CID 136528712

IUPAC2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CC(C)CC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9-6-12(16(8-9)13(17)15-2)10-4-3-5-11(14)7-10/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,17)
InChIKeyMPHUUXHBJIPKKJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.55
Rot. Bonds1

About 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide

2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide (PubChem CID 136528712) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
PubChem CID136528712
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CC(C)CC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-9-6-12(16(8-9)13(17)15-2)10-4-3-5-11(14)7-10/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,17)
InChIKeyMPHUUXHBJIPKKJ-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
4-[[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023377
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 119329386
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119793865
2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 136528711
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
7-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119793846
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119793879
4-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120592747
4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120692128

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide (CID 136528712) is 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide is CNC(=O)N1CC(C)CC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide?
The InChIKey is MPHUUXHBJIPKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-6-12(16(8-9)13(17)15-2)10-4-3-5-11(14)7-10/h3-5,7,9,12H,6,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide?
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136528712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).