(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C14H17ClN2O2 — CID 774003

IUPAC(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O2/c1-9(2)16-14(19)10-7-13(18)17(8-10)12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyBOQOUBVNLODAPI-JTQLQIEISA-N
MW280.75 g/mol
LogP2.22
Rot. Bonds3

About (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 774003) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID774003
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O2/c1-9(2)16-14(19)10-7-13(18)17(8-10)12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyBOQOUBVNLODAPI-JTQLQIEISA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9391280
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid
CID 108800085
1-(2,6-dichlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191212
N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119668556
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-ethylsulfonylbutanoic acid
CID 108800173
1-[4-[2-(4-chlorophenyl)ethenyl]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68615960

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 774003) is (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BOQOUBVNLODAPI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(2)16-14(19)10-7-13(18)17(8-10)12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,19)/t10-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 774003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).