N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

C13H17ClN2O — CID 81354643

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)C1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c1-9(10-2-4-12(14)5-3-10)16-13(17)11-6-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)/t9-,11?/m0/s1
InChIKeyQTSVRJUJYPBGAB-FTNKSUMCSA-N
MW252.75 g/mol
LogP2.13
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide

N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 81354643) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID81354643
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)C1CCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c1-9(10-2-4-12(14)5-3-10)16-13(17)11-6-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)/t9-,11?/m0/s1
InChIKeyQTSVRJUJYPBGAB-FTNKSUMCSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 81354643) is N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is C[C@H](NC(=O)C1CCNC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is QTSVRJUJYPBGAB-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(10-2-4-12(14)5-3-10)16-13(17)11-6-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)/t9-,11?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 252.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 81354643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).