N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide

C16H14BrF3N2O — CID 7920385

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14BrF3N2O/c1-22(2)12-5-3-4-10(8-12)15(23)21-11-6-7-14(17)13(9-11)16(18,19)20/h3-9H,1-2H3,(H,21,23)
InChIKeyMUUREZANKZGOCQ-UHFFFAOYSA-N
MW387.20 g/mol
LogP4.79
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide (PubChem CID 7920385) has the molecular formula C16H14BrF3N2O and a molecular weight of 387.20 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide
PubChem CID7920385
Molecular FormulaC16H14BrF3N2O
Molecular Weight387.20 g/mol
Exact Mass386.02
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H14BrF3N2O/c1-22(2)12-5-3-4-10(8-12)15(23)21-11-6-7-14(17)13(9-11)16(18,19)20/h3-9H,1-2H3,(H,21,23)
InChIKeyMUUREZANKZGOCQ-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38205833
4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115377777
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide (CID 7920385) is N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide?
The InChIKey is MUUREZANKZGOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O/c1-22(2)12-5-3-4-10(8-12)15(23)21-11-6-7-14(17)13(9-11)16(18,19)20/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide has a molecular weight of 387.20 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 7920385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).