N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide

C15H20ClN3O2 — CID 119798450

IUPACN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-17-9-2-3-14(20)18-13-8-10-19(15(13)21)12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyLOLVTSIIDNECGQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.56
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide (PubChem CID 119798450) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
PubChem CID119798450
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-17-9-2-3-14(20)18-13-8-10-19(15(13)21)12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyLOLVTSIIDNECGQ-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111539971
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119798473
7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119802718
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119798477
2-amino-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119332076
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
CID 119792938
4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120934462
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 154748978

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide (CID 119798450) is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide is CNCCCC(=O)NC1CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide?
The InChIKey is LOLVTSIIDNECGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-17-9-2-3-14(20)18-13-8-10-19(15(13)21)12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide?
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide has a molecular weight of 309.80 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119798450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).