N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide

C13H17ClN2O — CID 110859260

IUPACN-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-11(7-12(9)14)15-13(17)10-5-6-16(2)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyFLDZJGRPYUENAD-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.54
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide

N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 110859260) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
PubChem CID110859260
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-11(7-12(9)14)15-13(17)10-5-6-16(2)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyFLDZJGRPYUENAD-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110864208
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688
N-(3-chloro-4-methylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344122
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide (CID 110859260) is N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CCN(C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is FLDZJGRPYUENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-3-4-11(7-12(9)14)15-13(17)10-5-6-16(2)8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110859260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).