N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide

C18H15Cl3N2O3 — CID 24600272

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C18H15Cl3N2O3/c19-11-3-5-13(20)16(8-11)26-10-17(24)22-12-4-6-15(14(21)9-12)23-7-1-2-18(23)25/h3-6,8-9H,1-2,7,10H2,(H,22,24)
InChIKeyXAVONDZHOLZHFU-UHFFFAOYSA-N
MW413.69 g/mol
LogP4.79
Rot. Bonds5

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 24600272) has the molecular formula C18H15Cl3N2O3 and a molecular weight of 413.69 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide
PubChem CID24600272
Molecular FormulaC18H15Cl3N2O3
Molecular Weight413.69 g/mol
Exact Mass412.01
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C18H15Cl3N2O3/c19-11-3-5-13(20)16(8-11)26-10-17(24)22-12-4-6-15(14(21)9-12)23-7-1-2-18(23)25/h3-6,8-9H,1-2,7,10H2,(H,22,24)
InChIKeyXAVONDZHOLZHFU-UHFFFAOYSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.69
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 42525030
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-hydroxypentanamide
CID 79194755
2-(4-chloro-2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716544
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8750865
2-(2,5-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 108762057
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131092
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38329748
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42396014
2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide (CID 24600272) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide is O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is XAVONDZHOLZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O3/c19-11-3-5-13(20)16(8-11)26-10-17(24)22-12-4-6-15(14(21)9-12)23-7-1-2-18(23)25/h3-6,8-9H,1-2,7,10H2,(H,22,24).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 413.69 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 24600272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).