2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide

C18H27ClN2O — CID 110437684

IUPAC2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
SMILESCC(C)(C(=O)NCCCCN1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-18(2,15-8-7-9-16(19)14-15)17(22)20-10-3-4-11-21-12-5-6-13-21/h7-9,14H,3-6,10-13H2,1-2H3,(H,20,22)
InChIKeyBGVBSQJXQZQYFR-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.61
Rot. Bonds7

About 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide

2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide (PubChem CID 110437684) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
PubChem CID110437684
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
SMILESCC(C)(C(=O)NCCCCN1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-18(2,15-8-7-9-16(19)14-15)17(22)20-10-3-4-11-21-12-5-6-13-21/h7-9,14H,3-6,10-13H2,1-2H3,(H,20,22)
InChIKeyBGVBSQJXQZQYFR-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-(3-chlorophenyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 110437667
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
1-(2-hydroxy-2-phenylpropyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 111334586
2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide
CID 10458014
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 110437822

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide (CID 110437684) is 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide is CC(C)(C(=O)NCCCCN1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
The InChIKey is BGVBSQJXQZQYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-18(2,15-8-7-9-16(19)14-15)17(22)20-10-3-4-11-21-12-5-6-13-21/h7-9,14H,3-6,10-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide?
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide has a molecular weight of 322.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide is sourced from PubChem (CID 110437684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).