3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide

C21H17Cl2N3O3 — CID 60520711

IUPAC3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H17Cl2N3O3/c22-18-7-6-15(9-19(18)23)21(28)25-12-20(27)26-16-4-1-5-17(10-16)29-13-14-3-2-8-24-11-14/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyLJVNQOZGRJVONM-UHFFFAOYSA-N
MW430.29 g/mol
LogP4.34
Rot. Bonds7

About 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide

3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide (PubChem CID 60520711) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
PubChem CID60520711
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H17Cl2N3O3/c22-18-7-6-15(9-19(18)23)21(28)25-12-20(27)26-16-4-1-5-17(10-16)29-13-14-3-2-8-24-11-14/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyLJVNQOZGRJVONM-UHFFFAOYSA-N
XLogP4.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]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

3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26592239
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
4-tert-butyl-N-[2-[4-methoxy-3-(pyridin-3-ylmethoxy)anilino]-2-oxoethyl]benzamide
CID 55645199
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770704
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 111536786

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide (CID 60520711) is 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(OCc2cccnc2)c1.
What is the InChIKey of 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide?
The InChIKey is LJVNQOZGRJVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c22-18-7-6-15(9-19(18)23)21(28)25-12-20(27)26-16-4-1-5-17(10-16)29-13-14-3-2-8-24-11-14/h1-11H,12-13H2,(H,25,28)(H,26,27).
What are the key properties of 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide?
3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide has a molecular weight of 430.29 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide is sourced from PubChem (CID 60520711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).