2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide

C13H14BrF3N2O — CID 60791450

IUPAC2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1C(F)(F)F)NCC1CC1
InChIInChI=1S/C13H14BrF3N2O/c14-9-3-4-11(10(5-9)13(15,16)17)18-7-12(20)19-6-8-1-2-8/h3-5,8,18H,1-2,6-7H2,(H,19,20)
InChIKeyKIASXIAVURHUDV-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide

2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide (PubChem CID 60791450) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
PubChem CID60791450
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1C(F)(F)F)NCC1CC1
InChIInChI=1S/C13H14BrF3N2O/c14-9-3-4-11(10(5-9)13(15,16)17)18-7-12(20)19-6-8-1-2-8/h3-5,8,18H,1-2,6-7H2,(H,19,20)
InChIKeyKIASXIAVURHUDV-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[4-bromo-2-(trifluoromethyl)anilino]acetyl]amino]acetic acid
CID 65484378
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
4-bromo-N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 65483818
2-(4-bromo-2,3-dichloroanilino)-N-(cyclopropylmethyl)acetamide
CID 113429963
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
CID 31418044
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
CID 28992064
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(cyclopropylmethyl)acetamide
CID 60976730
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide (CID 60791450) is 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide is O=C(CNc1ccc(Br)cc1C(F)(F)F)NCC1CC1.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is KIASXIAVURHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-9-3-4-11(10(5-9)13(15,16)17)18-7-12(20)19-6-8-1-2-8/h3-5,8,18H,1-2,6-7H2,(H,19,20).
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide?
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 351.17 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 60791450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).