N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide

C15H17ClN2O3 — CID 118729021

IUPACN-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCc1cccc(Cl)c1)N1C(=O)CCC1=O
InChIInChI=1S/C15H17ClN2O3/c1-2-12(18-13(19)6-7-14(18)20)15(21)17-9-10-4-3-5-11(16)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,17,21)
InChIKeyRQSGZJKTWLTHSG-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.88
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide

N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 118729021) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID118729021
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCc1cccc(Cl)c1)N1C(=O)CCC1=O
InChIInChI=1S/C15H17ClN2O3/c1-2-12(18-13(19)6-7-14(18)20)15(21)17-9-10-4-3-5-11(16)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,17,21)
InChIKeyRQSGZJKTWLTHSG-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939
(2S)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742616
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]pentanamide
CID 65226161
2-(carbamoylamino)-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 3957835
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 118729021) is N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide is CCC(C(=O)NCc1cccc(Cl)c1)N1C(=O)CCC1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is RQSGZJKTWLTHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-2-12(18-13(19)6-7-14(18)20)15(21)17-9-10-4-3-5-11(16)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,17,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 308.76 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 118729021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).