2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide

C19H21ClN2O — CID 99883040

IUPAC2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NC[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C19H21ClN2O/c20-18-11-5-4-7-15(18)13-19(23)21-14-17-10-6-12-22(17)16-8-2-1-3-9-16/h1-5,7-9,11,17H,6,10,12-14H2,(H,21,23)/t17-/m0/s1
InChIKeySPHRFCQJGGRWKU-KRWDZBQOSA-N
MW328.84 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide

2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 99883040) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
PubChem CID99883040
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NC[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C19H21ClN2O/c20-18-11-5-4-7-15(18)13-19(23)21-14-17-10-6-12-22(17)16-8-2-1-3-9-16/h1-5,7-9,11,17H,6,10,12-14H2,(H,21,23)/t17-/m0/s1
InChIKeySPHRFCQJGGRWKU-KRWDZBQOSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
1-[(4-chlorophenyl)methyl]-3-[(1-phenylpyrrolidin-2-yl)methyl]urea
CID 72719298
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619858
N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 99883074
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
2,6-dichloro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 90620054
(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 99903505

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide (CID 99883040) is 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide is O=C(Cc1ccccc1Cl)NC[C@@H]1CCCN1c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is SPHRFCQJGGRWKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18-11-5-4-7-15(18)13-19(23)21-14-17-10-6-12-22(17)16-8-2-1-3-9-16/h1-5,7-9,11,17H,6,10,12-14H2,(H,21,23)/t17-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 328.84 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 99883040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).