2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide

C20H15ClF2N2O3 — CID 55643410

IUPAC2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OCc1cccnc1
InChIInChI=1S/C20H15ClF2N2O3/c1-27-18-5-4-13(7-19(18)28-11-12-3-2-6-24-10-12)25-20(26)14-8-16(22)17(23)9-15(14)21/h2-10H,11H2,1H3,(H,25,26)
InChIKeyJTUMPSTYNOTUNN-UHFFFAOYSA-N
MW404.80 g/mol
LogP4.85
Rot. Bonds6

About 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide

2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide (PubChem CID 55643410) has the molecular formula C20H15ClF2N2O3 and a molecular weight of 404.80 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
PubChem CID55643410
Molecular FormulaC20H15ClF2N2O3
Molecular Weight404.80 g/mol
Exact Mass404.07
IUPAC Name2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OCc1cccnc1
InChIInChI=1S/C20H15ClF2N2O3/c1-27-18-5-4-13(7-19(18)28-11-12-3-2-6-24-10-12)25-20(26)14-8-16(22)17(23)9-15(14)21/h2-10H,11H2,1H3,(H,25,26)
InChIKeyJTUMPSTYNOTUNN-UHFFFAOYSA-N
XLogP4.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]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-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38627115
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
N-(3-fluoro-4-methoxyphenyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55796689
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55672143
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46427978
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 43069775
N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-7-fluoroquinoxaline-5-carboxamide
CID 112845425
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide (CID 55643410) is 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide is COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OCc1cccnc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The InChIKey is JTUMPSTYNOTUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O3/c1-27-18-5-4-13(7-19(18)28-11-12-3-2-6-24-10-12)25-20(26)14-8-16(22)17(23)9-15(14)21/h2-10H,11H2,1H3,(H,25,26).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide has a molecular weight of 404.80 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 55643410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).