N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide

C15H19ClN2O2 — CID 7255518

IUPACN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)7-14(19)17-12-8-15(20)18(9-12)13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyJBAGQEFNQHTOHO-GFCCVEGCSA-N
MW294.78 g/mol
LogP2.61
Rot. Bonds4

About N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide (PubChem CID 7255518) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
PubChem CID7255518
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)7-14(19)17-12-8-15(20)18(9-12)13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyJBAGQEFNQHTOHO-GFCCVEGCSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
CID 7548497
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(methanesulfonamido)propanamide
CID 126427638
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 7548835
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43971221
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255570
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-1-ylacetamide
CID 7563968
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide (CID 7255518) is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide?
The InChIKey is JBAGQEFNQHTOHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)7-14(19)17-12-8-15(20)18(9-12)13-5-3-11(16)4-6-13/h3-6,10,12H,7-9H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide?
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide has a molecular weight of 294.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 7255518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).