2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide

C16H13BrF4N2O — CID 43068432

IUPAC2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(F)cc2Br)c(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF4N2O/c1-23(2)10-4-6-14(12(8-10)16(19,20)21)22-15(24)11-5-3-9(18)7-13(11)17/h3-8H,1-2H3,(H,22,24)
InChIKeyRADWILSHKPZVCN-UHFFFAOYSA-N
MW405.19 g/mol
LogP4.93
Rot. Bonds3

About 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide

2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide (PubChem CID 43068432) has the molecular formula C16H13BrF4N2O and a molecular weight of 405.19 g/mol. Its IUPAC name is 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide
PubChem CID43068432
Molecular FormulaC16H13BrF4N2O
Molecular Weight405.19 g/mol
Exact Mass404.01
IUPAC Name2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(F)cc2Br)c(C(F)(F)F)c1
InChIInChI=1S/C16H13BrF4N2O/c1-23(2)10-4-6-14(12(8-10)16(19,20)21)22-15(24)11-5-3-9(18)7-13(11)17/h3-8H,1-2H3,(H,22,24)
InChIKeyRADWILSHKPZVCN-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
3-[(2-bromo-4-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956288
2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
CID 46426398
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46426355
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43072047
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46436373
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
3,5-dichloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 55864931
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide (CID 43068432) is 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide is CN(C)c1ccc(NC(=O)c2ccc(F)cc2Br)c(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The InChIKey is RADWILSHKPZVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF4N2O/c1-23(2)10-4-6-14(12(8-10)16(19,20)21)22-15(24)11-5-3-9(18)7-13(11)17/h3-8H,1-2H3,(H,22,24).
What are the key properties of 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide?
2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide has a molecular weight of 405.19 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 43068432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).