1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide

C18H22ClN3O2 — CID 120947653

IUPAC1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CNCC2O)c(C)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN3O2/c1-11-6-16(18(24)21-9-13-8-20-10-17(13)23)12(2)22(11)15-5-3-4-14(19)7-15/h3-7,13,17,20,23H,8-10H2,1-2H3,(H,21,24)
InChIKeyUEPPOOWDBABCRB-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.06
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide

1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 120947653) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID120947653
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CNCC2O)c(C)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN3O2/c1-11-6-16(18(24)21-9-13-8-20-10-17(13)23)12(2)22(11)15-5-3-4-14(19)7-15/h3-7,13,17,20,23H,8-10H2,1-2H3,(H,21,24)
InChIKeyUEPPOOWDBABCRB-UHFFFAOYSA-N
XLogP2.06
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120946815
5-[[1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]pentanoic acid
CID 119235006
1-(3-chlorophenyl)-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120556705
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
2-[[1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]propanediamide
CID 60582355
2-chloro-1-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 43328389
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
1-(4-chlorophenyl)-2,5-dimethyl-N-[2-(methylamino)propyl]pyrrole-3-carboxamide
CID 120826815
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide (CID 120947653) is 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CNCC2O)c(C)n1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is UEPPOOWDBABCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-11-6-16(18(24)21-9-13-8-20-10-17(13)23)12(2)22(11)15-5-3-4-14(19)7-15/h3-7,13,17,20,23H,8-10H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 120947653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).