N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

C19H28ClN3O2 — CID 110278509

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CCC(NC(=O)CCC(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O2/c1-22(2)14-11-17(15-5-7-16(20)8-6-15)21-18(24)9-10-19(25)23-12-3-4-13-23/h5-8,17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyQREQKIDDKCQUMM-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.85
Rot. Bonds8

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 110278509) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID110278509
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CCC(NC(=O)CCC(=O)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O2/c1-22(2)14-11-17(15-5-7-16(20)8-6-15)21-18(24)9-10-19(25)23-12-3-4-13-23/h5-8,17H,3-4,9-14H2,1-2H3,(H,21,24)
InChIKeyQREQKIDDKCQUMM-UHFFFAOYSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
CID 110278624
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
CID 110278622
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 110278571
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 110278461
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
CID 125160556
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
3-(4-chlorophenyl)-1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 110617917
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 110278509) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is CN(C)CCC(NC(=O)CCC(=O)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is QREQKIDDKCQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-22(2)14-11-17(15-5-7-16(20)8-6-15)21-18(24)9-10-19(25)23-12-3-4-13-23/h5-8,17H,3-4,9-14H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 365.91 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 110278509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).