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

C14H20Cl2N2O2 — CID 68863876

IUPAC(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C([C@H]1CCCN1)N(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-12-5-3-11(4-6-12)10-17(8-9-18)14(19)13-2-1-7-16-13;/h3-6,13,16,18H,1-2,7-10H2;1H/t13-;/m1./s1
InChIKeyKPOBDZPRECYTIZ-BTQNPOSSSA-N
MW319.23 g/mol
LogP1.83
Rot. Bonds5

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

(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 68863876) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID68863876
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C([C@H]1CCCN1)N(CCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-12-5-3-11(4-6-12)10-17(8-9-18)14(19)13-2-1-7-16-13;/h3-6,13,16,18H,1-2,7-10H2;1H/t13-;/m1./s1
InChIKeyKPOBDZPRECYTIZ-BTQNPOSSSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119318530
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93375226
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 68863876) is (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C([C@H]1CCCN1)N(CCO)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KPOBDZPRECYTIZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c15-12-5-3-11(4-6-12)10-17(8-9-18)14(19)13-2-1-7-16-13;/h3-6,13,16,18H,1-2,7-10H2;1H/t13-;/m1./s1.
What are the key properties of (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride?
(2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 68863876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).