1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide

C23H15ClF3N3O2 — CID 69084581

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF3N3O2/c24-19-13-15(23(25,26)27)14-28-21(19)30-12-4-7-20(30)22(31)29-16-8-10-18(11-9-16)32-17-5-2-1-3-6-17/h1-14H,(H,29,31)
InChIKeyBESSGCZKEUNRPK-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.59
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide (PubChem CID 69084581) 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-(4-phenoxyphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
PubChem CID69084581
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF3N3O2/c24-19-13-15(23(25,26)27)14-28-21(19)30-12-4-7-20(30)22(31)29-16-8-10-18(11-9-16)32-17-5-2-1-3-6-17/h1-14H,(H,29,31)
InChIKeyBESSGCZKEUNRPK-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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
CID 69086376
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
3-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(4-methylphenoxy)phenyl]pyrazole-5-carboxamide
CID 141333802
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrole-2-carboxamide
CID 87686496
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(2,4,6-trichlorophenyl)pyrrole-2-carbohydrazide
CID 87686488
2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 143866892
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
CID 2526970
1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 69084526
cis-(1S,2R)-2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 51394297
N-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55534638

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide (CID 69084581) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide?
The InChIKey is BESSGCZKEUNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-19-13-15(23(25,26)27)14-28-21(19)30-12-4-7-20(30)22(31)29-16-8-10-18(11-9-16)32-17-5-2-1-3-6-17/h1-14H,(H,29,31).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-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-(4-phenoxyphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 69084581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).