N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide

C14H17ClN2O2 — CID 25378968

IUPACN-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)16-13-8-14(19)17(9-13)6-5-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-9H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyHIKPADCZQBBIHI-CYBMUJFWSA-N
MW280.75 g/mol
LogP1.62
Rot. Bonds4

About N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide

N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 25378968) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
PubChem CID25378968
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H17ClN2O2/c1-10(18)16-13-8-14(19)17(9-13)6-5-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-9H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyHIKPADCZQBBIHI-CYBMUJFWSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]but-2-ynamide
CID 26315273
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 42395409
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 26329415
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 45215931
N-[4-[[[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 45226939
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 42384857
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 42377030
1-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
CID 42464310
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 45177198
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(cyclopropylmethylamino)pyrrolidin-2-one
CID 26406990

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide (CID 25378968) is N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is HIKPADCZQBBIHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10(18)16-13-8-14(19)17(9-13)6-5-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-9H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide?
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 280.75 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 25378968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).