N-methyl-N-phenylpyrrolidine-2-carboxamide

C12H16N2O — CID 550989

IUPACN-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-14(10-6-3-2-4-7-10)12(15)11-8-5-9-13-11/h2-4,6-7,11,13H,5,8-9H2,1H3
InChIKeyPQJCHFZXCWAHMV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.40
Rot. Bonds2

About N-methyl-N-phenylpyrrolidine-2-carboxamide

N-methyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 550989) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID550989
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-N-phenylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-14(10-6-3-2-4-7-10)12(15)11-8-5-9-13-11/h2-4,6-7,11,13H,5,8-9H2,1H3
InChIKeyPQJCHFZXCWAHMV-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclopropylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 175979802
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 115159200
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-(4-carbamimidoylphenyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 67666152
N-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 119893081
(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
CID 130774871
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-phenylpyrrolidine-2-carboxamide (CID 550989) is N-methyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-phenylpyrrolidine-2-carboxamide is CN(C(=O)C1CCCN1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is PQJCHFZXCWAHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(10-6-3-2-4-7-10)12(15)11-8-5-9-13-11/h2-4,6-7,11,13H,5,8-9H2,1H3.
What are the key properties of N-methyl-N-phenylpyrrolidine-2-carboxamide?
N-methyl-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 550989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).