N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide

C23H14ClF7N2O4 — CID 142516919

IUPACN-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)c(Cl)c3)ccc(C(F)(F)F)c2F)ccc1N
InChIInChI=1S/C23H14ClF7N2O4/c1-10(34)13-8-11(2-5-16(13)32)33-21(35)19-18(7-4-14(20(19)25)22(26,27)28)36-12-3-6-17(15(24)9-12)37-23(29,30)31/h2-9H,32H2,1H3,(H,33,35)
InChIKeyYBJBMGCNUVTAAC-UHFFFAOYSA-N
MW550.81 g/mol
LogP7.23
Rot. Bonds6

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

N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 142516919) has the molecular formula C23H14ClF7N2O4 and a molecular weight of 550.81 g/mol. Its IUPAC name is N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID142516919
Molecular FormulaC23H14ClF7N2O4
Molecular Weight550.81 g/mol
Exact Mass550.05
IUPAC NameN-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)c(Cl)c3)ccc(C(F)(F)F)c2F)ccc1N
InChIInChI=1S/C23H14ClF7N2O4/c1-10(34)13-8-11(2-5-16(13)32)33-21(35)19-18(7-4-14(20(19)25)22(26,27)28)36-12-3-6-17(15(24)9-12)37-23(29,30)31/h2-9H,32H2,1H3,(H,33,35)
InChIKeyYBJBMGCNUVTAAC-UHFFFAOYSA-N
XLogP7.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.81
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406529
N-(4-carbamoylphenyl)-2-fluoro-6-[4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410942
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
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
N-(3-carbamoylphenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410906
4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406338
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
N-(4-chloro-3-cyanophenyl)-2-fluoro-6-(4-fluoro-2-methylphenoxy)-3-(trifluoromethyl)benzamide
CID 169097081
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311
N-[3-(dimethylcarbamoyl)phenyl]-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137410898
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 137410927

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide (CID 142516919) is N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide is CC(=O)c1cc(NC(=O)c2c(Oc3ccc(OC(F)(F)F)c(Cl)c3)ccc(C(F)(F)F)c2F)ccc1N.
What is the InChIKey of N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is YBJBMGCNUVTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF7N2O4/c1-10(34)13-8-11(2-5-16(13)32)33-21(35)19-18(7-4-14(20(19)25)22(26,27)28)36-12-3-6-17(15(24)9-12)37-23(29,30)31/h2-9H,32H2,1H3,(H,33,35).
What are the key properties of N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide?
N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 550.81 g/mol, XLogP of 7.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-aminophenyl)-6-[3-chloro-4-(trifluoromethoxy)phenoxy]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 142516919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).