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

C25H18F4N2O4 — CID 55764550

IUPACN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)oc2ccccc12
InChIInChI=1S/C25H18F4N2O4/c1-34-13-18-17-4-2-3-5-21(17)35-22(18)24(33)31-20-11-10-16(12-19(20)25(27,28)29)30-23(32)14-6-8-15(26)9-7-14/h2-12H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyQYJUQRDVUMGGJC-UHFFFAOYSA-N
MW486.42 g/mol
LogP6.24
Rot. Bonds6

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

N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 55764550) has the molecular formula C25H18F4N2O4 and a molecular weight of 486.42 g/mol. Its IUPAC name is N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID55764550
Molecular FormulaC25H18F4N2O4
Molecular Weight486.42 g/mol
Exact Mass486.12
IUPAC NameN-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)oc2ccccc12
InChIInChI=1S/C25H18F4N2O4/c1-34-13-18-17-4-2-3-5-21(17)35-22(18)24(33)31-20-11-10-16(12-19(20)25(27,28)29)30-23(32)14-6-8-15(26)9-7-14/h2-12H,13H2,1H3,(H,30,32)(H,31,33)
InChIKeyQYJUQRDVUMGGJC-UHFFFAOYSA-N
XLogP6.24
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.42
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55699301
3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55478663
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 49170375
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 55764550) is N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)oc2ccccc12.
What is the InChIKey of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is QYJUQRDVUMGGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O4/c1-34-13-18-17-4-2-3-5-21(17)35-22(18)24(33)31-20-11-10-16(12-19(20)25(27,28)29)30-23(32)14-6-8-15(26)9-7-14/h2-12H,13H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 486.42 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55764550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).