2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C21H23ClN2O3 — CID 17494787

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1N1CCCC1=O
InChIInChI=1S/C21H23ClN2O3/c1-14-13-16(8-11-18(14)24-12-4-5-19(24)25)23-20(26)21(2,3)27-17-9-6-15(22)7-10-17/h6-11,13H,4-5,12H2,1-3H3,(H,23,26)
InChIKeyUQXWUIVKGLWQDZ-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 17494787) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID17494787
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1N1CCCC1=O
InChIInChI=1S/C21H23ClN2O3/c1-14-13-16(8-11-18(14)24-12-4-5-19(24)25)23-20(26)21(2,3)27-17-9-6-15(22)7-10-17/h6-11,13H,4-5,12H2,1-3H3,(H,23,26)
InChIKeyUQXWUIVKGLWQDZ-UHFFFAOYSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679288
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 7686624
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 121054590
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160545

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 17494787) is 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1N1CCCC1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is UQXWUIVKGLWQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-13-16(8-11-18(14)24-12-4-5-19(24)25)23-20(26)21(2,3)27-17-9-6-15(22)7-10-17/h6-11,13H,4-5,12H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 386.88 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 17494787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).