2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide

C24H30Cl2N2O — CID 19439899

IUPAC2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
SMILESCC(C)C(CN(C)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C24H30Cl2N2O/c1-17(2)22(28-14-4-5-15-28)16-27(3)24(29)23(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,17,22-23H,4-5,14-16H2,1-3H3
InChIKeyJJHXNSZYHNKXCP-UHFFFAOYSA-N
MW433.42 g/mol
LogP5.70
Rot. Bonds7

About 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide

2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide (PubChem CID 19439899) has the molecular formula C24H30Cl2N2O and a molecular weight of 433.42 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
PubChem CID19439899
Molecular FormulaC24H30Cl2N2O
Molecular Weight433.42 g/mol
Exact Mass432.17
IUPAC Name2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
SMILESCC(C)C(CN(C)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C24H30Cl2N2O/c1-17(2)22(28-14-4-5-15-28)16-27(3)24(29)23(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,17,22-23H,4-5,14-16H2,1-3H3
InChIKeyJJHXNSZYHNKXCP-UHFFFAOYSA-N
XLogP5.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
[1-(4-chlorophenyl)-3-phenyl-2-pyrrolidin-1-ylpropyl]-methylcarbamic acid
CID 57361755
N-[1-(4-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43103361
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509489
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
3-[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81048429
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 111111278
3-(4-chlorophenyl)-1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 110617917
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
CID 3057474
3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide
CID 67812205

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide (CID 19439899) is 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide is CC(C)C(CN(C)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
The InChIKey is JJHXNSZYHNKXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O/c1-17(2)22(28-14-4-5-15-28)16-27(3)24(29)23(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,17,22-23H,4-5,14-16H2,1-3H3.
What are the key properties of 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide?
2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide has a molecular weight of 433.42 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-N-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide is sourced from PubChem (CID 19439899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).