2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide

C12H17BrN2O — CID 28572367

IUPAC2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(Br)ccc1NCC(=O)NC(C)C
InChIInChI=1S/C12H17BrN2O/c1-8(2)15-12(16)7-14-11-5-4-10(13)6-9(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyYNLQKXLSYJIBBM-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide

2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide (PubChem CID 28572367) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
PubChem CID28572367
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
SMILESCc1cc(Br)ccc1NCC(=O)NC(C)C
InChIInChI=1S/C12H17BrN2O/c1-8(2)15-12(16)7-14-11-5-4-10(13)6-9(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyYNLQKXLSYJIBBM-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 55988825
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
3-(4-bromo-2-methylanilino)-2-methylpropanoic acid
CID 43538414
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
CID 109006671
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
4-bromo-N-ethyl-2-methylaniline
CID 23053407
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CID 119682559

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide (CID 28572367) is 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide is Cc1cc(Br)ccc1NCC(=O)NC(C)C.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide?
The InChIKey is YNLQKXLSYJIBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)15-12(16)7-14-11-5-4-10(13)6-9(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide?
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide has a molecular weight of 285.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 28572367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).