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

C23H15ClF3N3O — CID 69086376

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF3N3O/c24-19-13-17(23(25,26)27)14-28-21(19)30-11-5-10-20(30)22(31)29-18-9-4-8-16(12-18)15-6-2-1-3-7-15/h1-14H,(H,29,31)
InChIKeyWUNLCEZCPCWTRU-UHFFFAOYSA-N
MW441.84 g/mol
LogP6.46
Rot. Bonds4

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide (PubChem CID 69086376) has the molecular formula C23H15ClF3N3O and a molecular weight of 441.84 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
PubChem CID69086376
Molecular FormulaC23H15ClF3N3O
Molecular Weight441.84 g/mol
Exact Mass441.09
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H15ClF3N3O/c24-19-13-17(23(25,26)27)14-28-21(19)30-11-5-10-20(30)22(31)29-18-9-4-8-16(12-18)15-6-2-1-3-7-15/h1-14H,(H,29,31)
InChIKeyWUNLCEZCPCWTRU-UHFFFAOYSA-N
XLogP6.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.84
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
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-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 143866892
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 69084526
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]pyrrole-2-carbothioyl]amino]methylidene-dimethylazanium
CID 6346199
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]urea
CID 3838553
N',1-bis[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 89152151
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
CID 90379792

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide (CID 69086376) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide is O=C(Nc1cccc(-c2ccccc2)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide?
The InChIKey is WUNLCEZCPCWTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O/c24-19-13-17(23(25,26)27)14-28-21(19)30-11-5-10-20(30)22(31)29-18-9-4-8-16(12-18)15-6-2-1-3-7-15/h1-14H,(H,29,31).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 69086376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).