N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide

C22H13F7N2O4 — CID 137410942

IUPACN-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C22H13F7N2O4/c23-18-15(21(24,25)26)9-10-16(34-13-5-7-14(8-6-13)35-22(27,28)29)17(18)20(33)31-12-3-1-11(2-4-12)19(30)32/h1-10H,(H2,30,32)(H,31,33)
InChIKeyGJCAJMHLOMSYFD-UHFFFAOYSA-N
MW502.34 g/mol
LogP5.89
Rot. Bonds6

About N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide

N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide (PubChem CID 137410942) has the molecular formula C22H13F7N2O4 and a molecular weight of 502.34 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
PubChem CID137410942
Molecular FormulaC22H13F7N2O4
Molecular Weight502.34 g/mol
Exact Mass502.08
IUPAC NameN-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C22H13F7N2O4/c23-18-15(21(24,25)26)9-10-16(34-13-5-7-14(8-6-13)35-22(27,28)29)17(18)20(33)31-12-3-1-11(2-4-12)19(30)32/h1-10H,(H2,30,32)(H,31,33)
InChIKeyGJCAJMHLOMSYFD-UHFFFAOYSA-N
XLogP5.89
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.34
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
N-(3-carbamoylphenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410906
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 137406357
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
N-[3-(dimethylcarbamoyl)phenyl]-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410898
N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
CID 142516919
4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406338
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370757
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 137410927
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide (CID 137410942) is N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)cc3)ccc(C(F)(F)F)c2F)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide?
The InChIKey is GJCAJMHLOMSYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F7N2O4/c23-18-15(21(24,25)26)9-10-16(34-13-5-7-14(8-6-13)35-22(27,28)29)17(18)20(33)31-12-3-1-11(2-4-12)19(30)32/h1-10H,(H2,30,32)(H,31,33).
What are the key properties of N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide?
N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide has a molecular weight of 502.34 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 137410942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).