N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C16H21ClN2O2 — CID 113165395

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1)CC(=O)N1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-13(20)19(12-16(21)18-9-2-3-10-18)11-8-14-4-6-15(17)7-5-14/h4-7H,2-3,8-12H2,1H3
InChIKeyDFABSONOGRTLGW-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 113165395) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID113165395
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1)CC(=O)N1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-13(20)19(12-16(21)18-9-2-3-10-18)11-8-14-4-6-15(17)7-5-14/h4-7H,2-3,8-12H2,1H3
InChIKeyDFABSONOGRTLGW-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113152545
N-[2-(4-chlorophenyl)ethyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113165464
N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]-N-(2-phenylethyl)acetamide
CID 75393059
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
N-[2-(3-chlorophenyl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113166895
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164363
1-[2-[acetyl(2-phenylethyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533930
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117056
N-[2-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylacetamide
CID 136578938

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 113165395) is N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CC(=O)N(CCc1ccc(Cl)cc1)CC(=O)N1CCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is DFABSONOGRTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-13(20)19(12-16(21)18-9-2-3-10-18)11-8-14-4-6-15(17)7-5-14/h4-7H,2-3,8-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 113165395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).