2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide

C17H16BrF3N2O — CID 46426398

IUPAC2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H16BrF3N2O/c1-23(2)13-7-8-15(14(10-13)17(19,20)21)22-16(24)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyCVBHWAOYGFBIKL-UHFFFAOYSA-N
MW401.23 g/mol
LogP4.72
Rot. Bonds4

About 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide

2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 46426398) has the molecular formula C17H16BrF3N2O and a molecular weight of 401.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
PubChem CID46426398
Molecular FormulaC17H16BrF3N2O
Molecular Weight401.23 g/mol
Exact Mass400.04
IUPAC Name2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C17H16BrF3N2O/c1-23(2)13-7-8-15(14(10-13)17(19,20)21)22-16(24)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyCVBHWAOYGFBIKL-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 43068458
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46426387
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
2-bromo-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 43068432
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 46426415
1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111754586
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 43068398
N-[4-[4-(dimethylamino)-2-(trifluoromethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55642461
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(dimethylamino)anilino]acetamide
CID 109010316
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide (CID 46426398) is 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide is CN(C)c1ccc(NC(=O)Cc2ccc(Br)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CVBHWAOYGFBIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O/c1-23(2)13-7-8-15(14(10-13)17(19,20)21)22-16(24)9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide?
2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.23 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46426398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).