5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C24H15ClF4N2O3 — CID 55699301

IUPAC5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)oc2ccc(Cl)cc12
InChIInChI=1S/C24H15ClF4N2O3/c1-12-17-10-14(25)4-9-20(17)34-21(12)23(33)31-19-8-7-16(11-18(19)24(27,28)29)30-22(32)13-2-5-15(26)6-3-13/h2-11H,1H3,(H,30,32)(H,31,33)
InChIKeyMXBHQXUZFYFFCP-UHFFFAOYSA-N
MW490.84 g/mol
LogP7.06
Rot. Bonds4

About 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55699301) has the molecular formula C24H15ClF4N2O3 and a molecular weight of 490.84 g/mol. Its IUPAC name is 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55699301
Molecular FormulaC24H15ClF4N2O3
Molecular Weight490.84 g/mol
Exact Mass490.07
IUPAC Name5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)oc2ccc(Cl)cc12
InChIInChI=1S/C24H15ClF4N2O3/c1-12-17-10-14(25)4-9-20(17)34-21(12)23(33)31-19-8-7-16(11-18(19)24(27,28)29)30-22(32)13-2-5-15(26)6-3-13/h2-11H,1H3,(H,30,32)(H,31,33)
InChIKeyMXBHQXUZFYFFCP-UHFFFAOYSA-N
XLogP7.06
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.84
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55764550
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7930823
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 23098202
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7578111
2-fluoro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55764324
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55699393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 55699301) is 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MXBHQXUZFYFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF4N2O3/c1-12-17-10-14(25)4-9-20(17)34-21(12)23(33)31-19-8-7-16(11-18(19)24(27,28)29)30-22(32)13-2-5-15(26)6-3-13/h2-11H,1H3,(H,30,32)(H,31,33).
What are the key properties of 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 490.84 g/mol, XLogP of 7.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55699301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).