2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide

C19H21ClN2O — CID 3520877

IUPAC2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1ccccc1NC(=O)C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H21ClN2O/c1-14-6-2-3-7-17(14)21-19(23)18(22-12-4-5-13-22)15-8-10-16(20)11-9-15/h2-3,6-11,18H,4-5,12-13H2,1H3,(H,21,23)
InChIKeyXCMFDRCWZCBMQF-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide

2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 3520877) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID3520877
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1ccccc1NC(=O)C(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H21ClN2O/c1-14-6-2-3-7-17(14)21-19(23)18(22-12-4-5-13-22)15-8-10-16(20)11-9-15/h2-3,6-11,18H,4-5,12-13H2,1H3,(H,21,23)
InChIKeyXCMFDRCWZCBMQF-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556713
N-(2,3-dimethylphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 136519756
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
2-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)-2-piperidin-1-ylacetamide
CID 3108201

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide (CID 3520877) is 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide is Cc1ccccc1NC(=O)C(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is XCMFDRCWZCBMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14-6-2-3-7-17(14)21-19(23)18(22-12-4-5-13-22)15-8-10-16(20)11-9-15/h2-3,6-11,18H,4-5,12-13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 328.84 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3520877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).