N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide

C17H14BrF3N2O3 — CID 4845703

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14BrF3N2O3/c1-23(10-15(24)22-14-5-3-2-4-13(14)18)16(25)11-6-8-12(9-7-11)26-17(19,20)21/h2-9H,10H2,1H3,(H,22,24)
InChIKeyHMJVKKXKVASNOB-UHFFFAOYSA-N
MW431.21 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide (PubChem CID 4845703) has the molecular formula C17H14BrF3N2O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide
PubChem CID4845703
Molecular FormulaC17H14BrF3N2O3
Molecular Weight431.21 g/mol
Exact Mass430.01
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14BrF3N2O3/c1-23(10-15(24)22-14-5-3-2-4-13(14)18)16(25)11-6-8-12(9-7-11)26-17(19,20)21/h2-9H,10H2,1H3,(H,22,24)
InChIKeyHMJVKKXKVASNOB-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2399946
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27800522
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30496839
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55789087
7-bromo-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-benzofuran-2-carboxamide
CID 39712377
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
4-(diethylamino)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9431728

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide (CID 4845703) is N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide?
The InChIKey is HMJVKKXKVASNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O3/c1-23(10-15(24)22-14-5-3-2-4-13(14)18)16(25)11-6-8-12(9-7-11)26-17(19,20)21/h2-9H,10H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide has a molecular weight of 431.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 4845703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).