2-(4-bromoanilino)-N,N-dimethylacetamide

C10H13BrN2O — CID 28581140

IUPAC2-(4-bromoanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-13(2)10(14)7-12-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyCRRZGINCRZBXRS-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.95
Rot. Bonds3

About 2-(4-bromoanilino)-N,N-dimethylacetamide

2-(4-bromoanilino)-N,N-dimethylacetamide (PubChem CID 28581140) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N,N-dimethylacetamide
PubChem CID28581140
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-(4-bromoanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C10H13BrN2O/c1-13(2)10(14)7-12-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyCRRZGINCRZBXRS-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-N,N-dipropylacetamide
CID 39453454
2-(4-bromoanilino)acetic acid
CID 6917281
N,N-dimethyl-2-(4-pentan-3-ylanilino)acetamide
CID 126626051
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
CID 71997880
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-dimethylbutanamide
CID 75382992
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-bromoanilino)-N,N-dimethylacetamide (CID 28581140) is 2-(4-bromoanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-bromoanilino)-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N,N-dimethylacetamide?
The InChIKey is CRRZGINCRZBXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-13(2)10(14)7-12-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-(4-bromoanilino)-N,N-dimethylacetamide?
2-(4-bromoanilino)-N,N-dimethylacetamide has a molecular weight of 257.13 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 28581140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).