N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide

C18H25ClN2O2 — CID 72901991

IUPACN-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@@]1(O)C1CC1
InChIInChI=1S/C18H25ClN2O2/c1-13-11-21(12-18(13,23)15-6-7-15)9-8-17(22)20-10-14-4-2-3-5-16(14)19/h2-5,13,15,23H,6-12H2,1H3,(H,20,22)/t13-,18+/m1/s1
InChIKeyQEPXNFHRLFPCAG-ACJLOTCBSA-N
MW336.86 g/mol
LogP2.44
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide (PubChem CID 72901991) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide
PubChem CID72901991
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide
SMILESC[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@@]1(O)C1CC1
InChIInChI=1S/C18H25ClN2O2/c1-13-11-21(12-18(13,23)15-6-7-15)9-8-17(22)20-10-14-4-2-3-5-16(14)19/h2-5,13,15,23H,6-12H2,1H3,(H,20,22)/t13-,18+/m1/s1
InChIKeyQEPXNFHRLFPCAG-ACJLOTCBSA-N
XLogP2.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-chlorophenyl)methylamino]propyl]-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 24845391
N-(2-chlorobenzyl)-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
CID 70719064
N-(3-chlorobenzyl)-3-[(4S*)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide
CID 70764583
(3S,4S)-1-(2-chloro-6-fluorobenzyl)-N-cyclopropyl-4-(hydroxymethyl)tetrahydro-1H-pyrrole-3-carboxamide
CID 110203653
1-[(2-Chloro-6-fluorophenyl)methyl]-4-(hydroxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203672
(3S,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopropyl-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203748
(3S,4S)-1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203754
N-{1-[(2-Chloro-4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-YL}cyclopropanecarboxamide
CID 124050265
N-{1-[(2-Chloro-6-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-YL}cyclopropanecarboxamide
CID 124050270
N-[(2-chloro-4-fluorophenyl)methyl]-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 5002143
N-[(2-chlorophenyl)methyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 53615609
(3R*,4R*)-N-(4-chlorobenzyl)-3-hydroxy-3,4-dimethyl-1-pyrrolidinecarboxamide
CID 72842904

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide (CID 72901991) is N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide is C[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@@]1(O)C1CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide?
The InChIKey is QEPXNFHRLFPCAG-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-11-21(12-18(13,23)15-6-7-15)9-8-17(22)20-10-14-4-2-3-5-16(14)19/h2-5,13,15,23H,6-12H2,1H3,(H,20,22)/t13-,18+/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide has a molecular weight of 336.86 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 72901991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).