N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide

C21H15BrF4N2O — CID 155452624

IUPACN-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Nc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C21H15BrF4N2O/c1-12-9-15(23)6-8-18(12)28-19-10-13(21(24,25)26)5-7-17(19)20(29)27-16-4-2-3-14(22)11-16/h2-11,28H,1H3,(H,27,29)
InChIKeyCLEVADDYYXTSPD-UHFFFAOYSA-N
MW467.26 g/mol
LogP6.91
Rot. Bonds4

About N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide

N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide (PubChem CID 155452624) has the molecular formula C21H15BrF4N2O and a molecular weight of 467.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide
PubChem CID155452624
Molecular FormulaC21H15BrF4N2O
Molecular Weight467.26 g/mol
Exact Mass466.03
IUPAC NameN-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Nc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C21H15BrF4N2O/c1-12-9-15(23)6-8-18(12)28-19-10-13(21(24,25)26)5-7-17(19)20(29)27-16-4-2-3-14(22)11-16/h2-11,28H,1H3,(H,27,29)
InChIKeyCLEVADDYYXTSPD-UHFFFAOYSA-N
XLogP6.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.26
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylanilino)-N-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452342
2-(4-bromo-2-methylanilino)-4-(trifluoromethyl)benzoic acid
CID 155452295
2-(4-fluoro-2-methylanilino)-N-(6-methoxy-4-methylpyridazin-3-yl)-4-(trifluoromethyl)benzamide
CID 155452862
2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155452612
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264564
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide (CID 155452624) is N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Nc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide?
The InChIKey is CLEVADDYYXTSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrF4N2O/c1-12-9-15(23)6-8-18(12)28-19-10-13(21(24,25)26)5-7-17(19)20(29)27-16-4-2-3-14(22)11-16/h2-11,28H,1H3,(H,27,29).
What are the key properties of N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide?
N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide has a molecular weight of 467.26 g/mol, XLogP of 6.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155452624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).