5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide

C16H21ClN2O2 — CID 43347098

IUPAC5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
SMILESCc1cc(NC(=O)CCCCCl)ccc1N1CCCC1=O
InChIInChI=1S/C16H21ClN2O2/c1-12-11-13(18-15(20)5-2-3-9-17)7-8-14(12)19-10-4-6-16(19)21/h7-8,11H,2-6,9-10H2,1H3,(H,18,20)
InChIKeyNEIUGYRJHBLVQL-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.47
Rot. Bonds6

About 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide

5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide (PubChem CID 43347098) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
PubChem CID43347098
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
SMILESCc1cc(NC(=O)CCCCCl)ccc1N1CCCC1=O
InChIInChI=1S/C16H21ClN2O2/c1-12-11-13(18-15(20)5-2-3-9-17)7-8-14(12)19-10-4-6-16(19)21/h7-8,11H,2-6,9-10H2,1H3,(H,18,20)
InChIKeyNEIUGYRJHBLVQL-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
3-(4-ethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24601082
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-hydroxypentanamide
CID 79194755
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937830
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 7687442
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7687437
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17436801

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide (CID 43347098) is 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide is Cc1cc(NC(=O)CCCCCl)ccc1N1CCCC1=O.
What is the InChIKey of 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
The InChIKey is NEIUGYRJHBLVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12-11-13(18-15(20)5-2-3-9-17)7-8-14(12)19-10-4-6-16(19)21/h7-8,11H,2-6,9-10H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide?
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide has a molecular weight of 308.81 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 43347098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).