(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

C13H17ClN2O — CID 118058321

IUPAC(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-10(2-4-12)5-7-16-8-6-11(9-16)13(15)17/h1-4,11H,5-9H2,(H2,15,17)/t11-/m1/s1
InChIKeySBWPWGHZNJSYST-LLVKDONJSA-N
MW252.74 g/mol
LogP1.69
Rot. Bonds4

About (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 118058321) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID118058321
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-10(2-4-12)5-7-16-8-6-11(9-16)13(15)17/h1-4,11H,5-9H2,(H2,15,17)/t11-/m1/s1
InChIKeySBWPWGHZNJSYST-LLVKDONJSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
1-[4-[2-[2-(4-chlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxamide
CID 20544942
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
(3S)-1-[(4-chloro-2-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 99638888
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]propan-1-one
CID 83980778
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 118058321) is (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is SBWPWGHZNJSYST-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-3-1-10(2-4-12)5-7-16-8-6-11(9-16)13(15)17/h1-4,11H,5-9H2,(H2,15,17)/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118058321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).