2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C17H23ClN2O3 — CID 42992476

IUPAC2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H23ClN2O3/c1-12-11-14(18)6-7-15(12)23-13(2)17(22)19-8-4-10-20-9-3-5-16(20)21/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeyQWOGBGVSCDDALS-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.54
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 42992476) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID42992476
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H23ClN2O3/c1-12-11-14(18)6-7-15(12)23-13(2)17(22)19-8-4-10-20-9-3-5-16(20)21/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeyQWOGBGVSCDDALS-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
1-[3-(4-chloro-2-methylphenoxy)propyl]pyrrolidin-2-one
CID 94695701
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 96525589
(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 40634149
2,4-dichloro-N-[4-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]pentan-2-yl]benzamide
CID 43006168
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
1-(5-chloro-2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2211279
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8787363
(2S)-2-(4-chloro-2-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
CID 7027007
N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 44902400

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 42992476) is 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is QWOGBGVSCDDALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-12-11-14(18)6-7-15(12)23-13(2)17(22)19-8-4-10-20-9-3-5-16(20)21/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 338.84 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 42992476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).