(3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide

C14H19ClN2O2 — CID 72842904

IUPAC(3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)C[C@]1(C)O
InChIInChI=1S/C14H19ClN2O2/c1-10-8-17(9-14(10,2)19)13(18)16-7-11-3-5-12(15)6-4-11/h3-6,10,19H,7-9H2,1-2H3,(H,16,18)/t10-,14+/m1/s1
InChIKeyAZQROHDIQSQNHQ-YGRLFVJLSA-N
MW282.77 g/mol
LogP2.25
Rot. Bonds2

About (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide

(3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide (PubChem CID 72842904) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide
PubChem CID72842904
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)C[C@]1(C)O
InChIInChI=1S/C14H19ClN2O2/c1-10-8-17(9-14(10,2)19)13(18)16-7-11-3-5-12(15)6-4-11/h3-6,10,19H,7-9H2,1-2H3,(H,16,18)/t10-,14+/m1/s1
InChIKeyAZQROHDIQSQNHQ-YGRLFVJLSA-N
XLogP2.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
1-((4-Chlorophenyl)methyl)-5,5-dimethylimidazolidin-2-one
CID 66545139
N-(2-chlorobenzyl)-3-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]propanamide
CID 72901991
2-(4-chlorophenyl)-N-isopropyl-1-pyrrolidinecarboxamide
CID 45924678
2-(4-chlorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 45924731
2-(4-chlorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 47237756
2-(4-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238401
1-(4-Chlorobenzyl)-3-((1-hydroxycyclopentyl)methyl)urea
CID 49670595
2-(4-chlorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 53207715
1-(4-Chlorobenzyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724283
1-(4-Chlorobenzyl)-3-(3-cyclopropyl-3-hydroxypropyl)urea
CID 71787556
1-(4-Chlorobenzyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 71787653

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide (CID 72842904) is (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide is C[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2)C[C@]1(C)O.
What is the InChIKey of (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
The InChIKey is AZQROHDIQSQNHQ-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-8-17(9-14(10,2)19)13(18)16-7-11-3-5-12(15)6-4-11/h3-6,10,19H,7-9H2,1-2H3,(H,16,18)/t10-,14+/m1/s1.
What are the key properties of (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide?
(3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[(4-chlorophenyl)methyl]-3-hydroxy-3,4-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72842904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).