N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide

C16H21ClN2O2 — CID 108958370

IUPACN-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(Cl)cc1)C(=O)N1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-16(2,15(21)19-9-3-4-10-19)14(20)18-11-12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyQYWTYSOHTIYOQF-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.60
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide

N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108958370) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108958370
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccc(Cl)cc1)C(=O)N1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-16(2,15(21)19-9-3-4-10-19)14(20)18-11-12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyQYWTYSOHTIYOQF-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959825
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958363
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962811
2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962002
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108965042
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959823
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
CID 19429474
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108959832
1-(azepane-1-carbonyl)-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 108976074
ethyl 4-[3-(benzylamino)-2,2-dimethyl-3-oxopropanoyl]piperazine-1-carboxylate
CID 108961528
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958896

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108958370) is N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide is CC(C)(C(=O)NCc1ccc(Cl)cc1)C(=O)N1CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is QYWTYSOHTIYOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-16(2,15(21)19-9-3-4-10-19)14(20)18-11-12-5-7-13(17)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 308.81 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108958370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).