1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide

C23H15ClF3N3O2 — CID 69084209

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF3N3O2/c24-19-12-15(23(25,26)27)14-28-21(19)30-11-5-10-20(30)22(31)29-16-6-4-9-18(13-16)32-17-7-2-1-3-8-17/h1-14H,(H,29,31)
InChIKeyVFPMZUNTWRPRNP-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.59
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide (PubChem CID 69084209) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide
PubChem CID69084209
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF3N3O2/c24-19-12-15(23(25,26)27)14-28-21(19)30-11-5-10-20(30)22(31)29-16-6-4-9-18(13-16)32-17-7-2-1-3-8-17/h1-14H,(H,29,31)
InChIKeyVFPMZUNTWRPRNP-UHFFFAOYSA-N
XLogP6.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl](methyl)amino}-1H-1,3-benzodiazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 22041261
4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 9869078
4-chloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 149788140
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]thiourea
CID 71454940
1-(6-chloro-2-pyridinyl)-N-(3,4-dimethoxyphenyl)pyrrole-2-carboxamide
CID 177379886
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177643614
1-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177644563
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxybenzyl)-1H-pyrrole-2-carboxamide
CID 3702021
1-(4-chlorophenyl)-4-oxo-N-[4-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]oxy]phenyl]-1,8-naphthyridine-3-carboxamide
CID 177645190
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 1479250
4-[3-[[4-Chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 9825022
4-[3-[(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 11512518

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide (CID 69084209) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide is O=C(Nc1cccc(Oc2ccccc2)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide?
The InChIKey is VFPMZUNTWRPRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-19-12-15(23(25,26)27)14-28-21(19)30-11-5-10-20(30)22(31)29-16-6-4-9-18(13-16)32-17-7-2-1-3-8-17/h1-14H,(H,29,31).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide has a molecular weight of 457.84 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenoxyphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 69084209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).