2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide

C31H23ClFN3O3 — CID 10280432

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(OCc3ccccn3)cc2)cc1)c1cccnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C31H23ClFN3O3/c32-28-18-26(14-15-29(28)33)39-31-27(5-3-17-35-31)30(37)36-19-21-6-8-22(9-7-21)23-10-12-25(13-11-23)38-20-24-4-1-2-16-34-24/h1-18H,19-20H2,(H,36,37)
InChIKeyCUTWHBUSFKKSSL-UHFFFAOYSA-N
MW539.99 g/mol
LogP7.24
Rot. Bonds9

About 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide

2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 10280432) has the molecular formula C31H23ClFN3O3 and a molecular weight of 539.99 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID10280432
Molecular FormulaC31H23ClFN3O3
Molecular Weight539.99 g/mol
Exact Mass539.14
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(OCc3ccccn3)cc2)cc1)c1cccnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C31H23ClFN3O3/c32-28-18-26(14-15-29(28)33)39-31-27(5-3-17-35-31)30(37)36-19-21-6-8-22(9-7-21)23-10-12-25(13-11-23)38-20-24-4-1-2-16-34-24/h1-18H,19-20H2,(H,36,37)
InChIKeyCUTWHBUSFKKSSL-UHFFFAOYSA-N
XLogP7.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.99
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide 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

5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
2-(3-chloro-4-fluorophenoxy)pyridine-3-carbothioamide
CID 63880027

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide (CID 10280432) is 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(-c2ccc(OCc3ccccn3)cc2)cc1)c1cccnc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is CUTWHBUSFKKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23ClFN3O3/c32-28-18-26(14-15-29(28)33)39-31-27(5-3-17-35-31)30(37)36-19-21-6-8-22(9-7-21)23-10-12-25(13-11-23)38-20-24-4-1-2-16-34-24/h1-18H,19-20H2,(H,36,37).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide?
2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 539.99 g/mol, XLogP of 7.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 10280432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).