1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C17H23ClN2O2 — CID 3663592

IUPAC1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-3-12(2)20-15(8-9-16(20)21)17(22)19-11-10-13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyPRLNNWQNTCGWOI-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.79
Rot. Bonds6

About 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 3663592) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID3663592
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-3-12(2)20-15(8-9-16(20)21)17(22)19-11-10-13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyPRLNNWQNTCGWOI-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Ono-1603
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(2~{s})-~{n}-[[2-(Aminomethyl)-5-Chloranyl-Phenyl]methyl]-1-[(2~{r})-2-Azanyl-3-Cyclohexyl-Propanoyl]pyrrolidine-2-Carboxamide
CID 129012068
(2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one (22)
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Smac peptido-mimetic 6h
CID 11176734
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
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Gsk1370319A
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(2S)-2-[[(2S)-2-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoyl]amino]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
CID 155489967
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
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CID 44237086

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 3663592) is 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is CCC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PRLNNWQNTCGWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-3-12(2)20-15(8-9-16(20)21)17(22)19-11-10-13-4-6-14(18)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3663592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).