N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H23ClN2O2 — CID 111428345

IUPACN-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCCC1CO)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-11(2)15(13-7-3-4-8-14(13)17)18-16(21)19-9-5-6-12(19)10-20/h3-4,7-8,11-12,15,20H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyXNPPWPYLUWPXCR-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111428345) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111428345
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCCC1CO)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-11(2)15(13-7-3-4-8-14(13)17)18-16(21)19-9-5-6-12(19)10-20/h3-4,7-8,11-12,15,20H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyXNPPWPYLUWPXCR-UHFFFAOYSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-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

N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922688
(2S)-2-(hydroxymethyl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 111631491
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427777
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107316001
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
(2S)-2-(hydroxymethyl)-N-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 111427824
methyl 2-chloro-6-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 126816599

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111428345) is N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(C)C(NC(=O)N1CCCC1CO)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is XNPPWPYLUWPXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(2)15(13-7-3-4-8-14(13)17)18-16(21)19-9-5-6-12(19)10-20/h3-4,7-8,11-12,15,20H,5-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).