N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride

C13H18Cl2N2O2 — CID 110887592

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)c1ccc(Cl)cc1)C1CCCN1
InChIInChI=1S/C13H17ClN2O2.ClH/c14-10-5-3-9(4-6-10)12(17)8-16-13(18)11-2-1-7-15-11;/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18);1H
InChIKeyINCCITRQSYFABZ-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 110887592) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID110887592
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)c1ccc(Cl)cc1)C1CCCN1
InChIInChI=1S/C13H17ClN2O2.ClH/c14-10-5-3-9(4-6-10)12(17)8-16-13(18)11-2-1-7-15-11;/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18);1H
InChIKeyINCCITRQSYFABZ-UHFFFAOYSA-N
XLogP1.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride 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

(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
(2S)-2-[[(3R)-3-(4-chlorophenyl)-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid;hydrochloride
CID 44668034
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
N-[2-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119330379
N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
CID 111477066
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
CID 110885456
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 110887592) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC(O)c1ccc(Cl)cc1)C1CCCN1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is INCCITRQSYFABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c14-10-5-3-9(4-6-10)12(17)8-16-13(18)11-2-1-7-15-11;/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18);1H.
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 110887592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).