2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide

C12H16BrFN2O — CID 104777465

IUPAC2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-8(2)16(3)12(17)7-15-9-4-5-11(14)10(13)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyHXWGZOKBTPIUOM-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.87
Rot. Bonds4

About 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide

2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide (PubChem CID 104777465) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
PubChem CID104777465
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNc1ccc(F)c(Br)c1
InChIInChI=1S/C12H16BrFN2O/c1-8(2)16(3)12(17)7-15-9-4-5-11(14)10(13)6-9/h4-6,8,15H,7H2,1-3H3
InChIKeyHXWGZOKBTPIUOM-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-3-(trifluoromethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 60690595
2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 43385741
2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879085
2-(3-iodoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879230
(Z)-4-(3-bromo-4-fluoroanilino)-3-methylbut-2-enoic acid
CID 103266451
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334
2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 55024751
butyl 2-(3-bromo-4-fluoroanilino)acetate
CID 104777302
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
3-bromo-4-fluoro-N-propylaniline
CID 104776158
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
3-bromo-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 107953084

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide (CID 104777465) is 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is HXWGZOKBTPIUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-8(2)16(3)12(17)7-15-9-4-5-11(14)10(13)6-9/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide?
2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 303.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 104777465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).