2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide

C19H24ClN3O — CID 11791829

IUPAC2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(-c2ccc(C)cc2)[nH]c1Cl
InChIInChI=1S/C19H24ClN3O/c1-3-23-10-4-5-15(23)12-21-19(24)16-11-17(22-18(16)20)14-8-6-13(2)7-9-14/h6-9,11,15,22H,3-5,10,12H2,1-2H3,(H,21,24)
InChIKeyJCVREXVUCBIUNY-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.86
Rot. Bonds5

About 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide

2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 11791829) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID11791829
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc(-c2ccc(C)cc2)[nH]c1Cl
InChIInChI=1S/C19H24ClN3O/c1-3-23-10-4-5-15(23)12-21-19(24)16-11-17(22-18(16)20)14-8-6-13(2)7-9-14/h6-9,11,15,22H,3-5,10,12H2,1-2H3,(H,21,24)
InChIKeyJCVREXVUCBIUNY-UHFFFAOYSA-N
XLogP3.86
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide
CID 10667283
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 46092056
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141109799
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016515

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide (CID 11791829) is 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide is CCN1CCCC1CNC(=O)c1cc(-c2ccc(C)cc2)[nH]c1Cl.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is JCVREXVUCBIUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-3-23-10-4-5-15(23)12-21-19(24)16-11-17(22-18(16)20)14-8-6-13(2)7-9-14/h6-9,11,15,22H,3-5,10,12H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 11791829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).