(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

C20H21ClN2O3 — CID 99950957

IUPAC(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-2-17(26-18-7-4-3-6-16(18)21)20(25)22-14-9-11-15(12-10-14)23-13-5-8-19(23)24/h3-4,6-7,9-12,17H,2,5,8,13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyIWXNGECWZYDFDP-KRWDZBQOSA-N
MW372.85 g/mol
LogP4.26
Rot. Bonds6

About (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide

(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (PubChem CID 99950957) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
PubChem CID99950957
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-2-17(26-18-7-4-3-6-16(18)21)20(25)22-14-9-11-15(12-10-14)23-13-5-8-19(23)24/h3-4,6-7,9-12,17H,2,5,8,13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyIWXNGECWZYDFDP-KRWDZBQOSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 94027340
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131495
(2S)-2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 28632081
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-chlorophenoxy)butanamide
CID 43885116
2-(2-chlorophenoxy)-N-(4-methoxyphenyl)butanamide
CID 43915879
2-[3-(N'-hydroxycarbamimidoyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 91444985
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 92685233
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide (CID 99950957) is (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
The InChIKey is IWXNGECWZYDFDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-17(26-18-7-4-3-6-16(18)21)20(25)22-14-9-11-15(12-10-14)23-13-5-8-19(23)24/h3-4,6-7,9-12,17H,2,5,8,13H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide?
(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide has a molecular weight of 372.85 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 99950957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).