2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide

C17H19BrN2O — CID 61006544

IUPAC2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(C(Nc2cccc(Br)c2)C(N)=O)cc1
InChIInChI=1S/C17H19BrN2O/c1-11(2)12-6-8-13(9-7-12)16(17(19)21)20-15-5-3-4-14(18)10-15/h3-11,16,20H,1-2H3,(H2,19,21)
InChIKeyKKBQWHZVHZGFMV-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide

2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 61006544) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID61006544
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(C(Nc2cccc(Br)c2)C(N)=O)cc1
InChIInChI=1S/C17H19BrN2O/c1-11(2)12-6-8-13(9-7-12)16(17(19)21)20-15-5-3-4-14(18)10-15/h3-11,16,20H,1-2H3,(H2,19,21)
InChIKeyKKBQWHZVHZGFMV-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
2-(3-bromoanilino)-2-(2,4-dichlorophenyl)acetamide
CID 61005205
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)acetamide
CID 61005304
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
2-(3-bromoanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373006
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
2-anilino-2-phenylacetamide;ethane
CID 142824395
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780
2-[1-(3-bromophenyl)ethylamino]-2-phenylacetamide
CID 56811839

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide (CID 61006544) is 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(C(Nc2cccc(Br)c2)C(N)=O)cc1.
What is the InChIKey of 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KKBQWHZVHZGFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11(2)12-6-8-13(9-7-12)16(17(19)21)20-15-5-3-4-14(18)10-15/h3-11,16,20H,1-2H3,(H2,19,21).
What are the key properties of 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide?
2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 61006544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).