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

C13H17ClN2O2 — CID 110859513

IUPACN-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16-6-5-9(8-16)13(17)15-10-3-4-12(18-2)11(14)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyQSDVGOMJSDOUFT-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.24
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 110859513) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
PubChem CID110859513
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16-6-5-9(8-16)13(17)15-10-3-4-12(18-2)11(14)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyQSDVGOMJSDOUFT-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
(3R)-N-(3,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 96595344
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886530
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126029508
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide (CID 110859513) is N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CCN(C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is QSDVGOMJSDOUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16-6-5-9(8-16)13(17)15-10-3-4-12(18-2)11(14)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110859513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).