N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H12BrF3N2O — CID 78957842

IUPACN-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(Br)cc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O/c1-7-2-3-8(12)4-9(7)17-10(18)5-16-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyPXFVAPBJXCKBQE-UHFFFAOYSA-N
MW325.13 g/mol
LogP2.85
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957842) has the molecular formula C11H12BrF3N2O and a molecular weight of 325.13 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957842
Molecular FormulaC11H12BrF3N2O
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC NameN-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1ccc(Br)cc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H12BrF3N2O/c1-7-2-3-8(12)4-9(7)17-10(18)5-16-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18)
InChIKeyPXFVAPBJXCKBQE-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914656
4-bromo-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79261272
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106834745
2-[2-(5-bromo-2-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569112
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785441
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119762977
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957842) is N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1ccc(Br)cc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PXFVAPBJXCKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O/c1-7-2-3-8(12)4-9(7)17-10(18)5-16-6-11(13,14)15/h2-4,16H,5-6H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 325.13 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).