N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide

C22H14BrF6NO — CID 54055088

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1Br
InChIInChI=1S/C22H14BrF6NO/c23-19-8-4-3-6-17(19)16-5-1-2-7-18(16)20(31)30-12-13-9-14(21(24,25)26)11-15(10-13)22(27,28)29/h1-11H,12H2,(H,30,31)
InChIKeyLVRFKEXDSQPVGZ-UHFFFAOYSA-N
MW502.25 g/mol
LogP7.08
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide (PubChem CID 54055088) has the molecular formula C22H14BrF6NO and a molecular weight of 502.25 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide
PubChem CID54055088
Molecular FormulaC22H14BrF6NO
Molecular Weight502.25 g/mol
Exact Mass501.02
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1Br
InChIInChI=1S/C22H14BrF6NO/c23-19-8-4-3-6-17(19)16-5-1-2-7-18(16)20(31)30-12-13-9-14(21(24,25)26)11-15(10-13)22(27,28)29/h1-11H,12H2,(H,30,31)
InChIKeyLVRFKEXDSQPVGZ-UHFFFAOYSA-N
XLogP7.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.25
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
CID 57233630
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-4-(2-methylphenyl)pyridine-3-carboxamide
CID 91253064
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-propyl-7,8-dihydro-6H-naphthalene-1-carboxamide
CID 18794531
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(2-bromophenyl)ethyl]urea
CID 108900585
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 57189926
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide (CID 54055088) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1Br.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide?
The InChIKey is LVRFKEXDSQPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrF6NO/c23-19-8-4-3-6-17(19)16-5-1-2-7-18(16)20(31)30-12-13-9-14(21(24,25)26)11-15(10-13)22(27,28)29/h1-11H,12H2,(H,30,31).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide has a molecular weight of 502.25 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-bromophenyl)benzamide is sourced from PubChem (CID 54055088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).