(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C15H20Cl2N2O2 — CID 97328185

IUPAC(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESC[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(7-12-13(16)3-2-4-14(12)17)18-15(21)19-6-5-11(8-19)9-20/h2-4,10-11,20H,5-9H2,1H3,(H,18,21)/t10-,11-/m1/s1
InChIKeyOEESYFYYRJCGEH-GHMZBOCLSA-N
MW331.24 g/mol
LogP2.95
Rot. Bonds4

About (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 97328185) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID97328185
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESC[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@@H](CO)C1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(7-12-13(16)3-2-4-14(12)17)18-15(21)19-6-5-11(8-19)9-20/h2-4,10-11,20H,5-9H2,1H3,(H,18,21)/t10-,11-/m1/s1
InChIKeyOEESYFYYRJCGEH-GHMZBOCLSA-N
XLogP2.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(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

3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110922372
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
4-(hydroxymethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111122302
3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 111439039
4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 84599637
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 97328185) is (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CC[C@@H](CO)C1.
What is the InChIKey of (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is OEESYFYYRJCGEH-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(7-12-13(16)3-2-4-14(12)17)18-15(21)19-6-5-11(8-19)9-20/h2-4,10-11,20H,5-9H2,1H3,(H,18,21)/t10-,11-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97328185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).