4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide

C19H17Cl2FN2O4 — CID 112500169

IUPAC4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide
SMILESCOc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)NC2CCNC(=O)C2)cc1F
InChIInChI=1S/C19H17Cl2FN2O4/c1-27-16-3-2-11(7-15(16)22)28-17-9-14(21)13(20)8-12(17)19(26)24-10-4-5-23-18(25)6-10/h2-3,7-10H,4-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyWOVXWKQJFFPFHU-UHFFFAOYSA-N
MW427.26 g/mol
LogP3.94
Rot. Bonds5

About 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide

4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide (PubChem CID 112500169) has the molecular formula C19H17Cl2FN2O4 and a molecular weight of 427.26 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide
PubChem CID112500169
Molecular FormulaC19H17Cl2FN2O4
Molecular Weight427.26 g/mol
Exact Mass426.05
IUPAC Name4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide
SMILESCOc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)NC2CCNC(=O)C2)cc1F
InChIInChI=1S/C19H17Cl2FN2O4/c1-27-16-3-2-11(7-15(16)22)28-17-9-14(21)13(20)8-12(17)19(26)24-10-4-5-23-18(25)6-10/h2-3,7-10H,4-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyWOVXWKQJFFPFHU-UHFFFAOYSA-N
XLogP3.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide 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

2-(2-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 112500113
2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 112500121
2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500065
2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide
CID 112500190
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxybenzamide
CID 162457633
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500174

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
The IUPAC name of 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide (CID 112500169) is 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide.
What is the SMILES notation for 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
The canonical SMILES for 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide is COc1ccc(Oc2cc(Cl)c(Cl)cc2C(=O)NC2CCNC(=O)C2)cc1F.
What is the InChIKey of 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
The InChIKey is WOVXWKQJFFPFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O4/c1-27-16-3-2-11(7-15(16)22)28-17-9-14(21)13(20)8-12(17)19(26)24-10-4-5-23-18(25)6-10/h2-3,7-10H,4-6H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide?
4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide has a molecular weight of 427.26 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide is sourced from PubChem (CID 112500169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).