3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide

C15H19ClN2O2 — CID 7547596

IUPAC3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCc1ccc(N2C[C@H](NC(=O)CCCl)CC2=O)cc1C
InChIInChI=1S/C15H19ClN2O2/c1-10-3-4-13(7-11(10)2)18-9-12(8-15(18)20)17-14(19)5-6-16/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyPVAKRWMYYUVECC-GFCCVEGCSA-N
MW294.78 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide

3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 7547596) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID7547596
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESCc1ccc(N2C[C@H](NC(=O)CCCl)CC2=O)cc1C
InChIInChI=1S/C15H19ClN2O2/c1-10-3-4-13(7-11(10)2)18-9-12(8-15(18)20)17-14(19)5-6-16/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyPVAKRWMYYUVECC-GFCCVEGCSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
1-(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969553
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
1,1-bis(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969513
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7255127
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
2-(4-chlorophenoxy)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7547833
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547885
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 7547881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide (CID 7547596) is 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide is Cc1ccc(N2C[C@H](NC(=O)CCCl)CC2=O)cc1C.
What is the InChIKey of 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is PVAKRWMYYUVECC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-3-4-13(7-11(10)2)18-9-12(8-15(18)20)17-14(19)5-6-16/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide?
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 294.78 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 7547596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).