2-(4-bromoanilino)-N-propan-2-ylacetamide

C11H15BrN2O — CID 17401945

IUPAC2-(4-bromoanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-8(2)14-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyPZJPMGXJLVSZGR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.39
Rot. Bonds4

About 2-(4-bromoanilino)-N-propan-2-ylacetamide

2-(4-bromoanilino)-N-propan-2-ylacetamide (PubChem CID 17401945) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-propan-2-ylacetamide
PubChem CID17401945
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(4-bromoanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-8(2)14-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)
InChIKeyPZJPMGXJLVSZGR-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromoanilino)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
2-(4-propanoylanilino)-N-propan-2-ylacetamide
CID 114066654
2-[4-(methoxymethyl)anilino]-N-propan-2-ylacetamide
CID 114253086
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
2-(4-bromoanilino)acetic acid
CID 6917281
2-(4-bromoanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16624216
N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048943
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromoanilino)-N-propan-2-ylacetamide (CID 17401945) is 2-(4-bromoanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-propan-2-ylacetamide?
The InChIKey is PZJPMGXJLVSZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(2)14-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-bromoanilino)-N-propan-2-ylacetamide?
2-(4-bromoanilino)-N-propan-2-ylacetamide has a molecular weight of 271.16 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 17401945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).