2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide

C17H19BrN2O — CID 65350197

IUPAC2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)Cc1cccc(N)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-6-8-14(18)9-7-13)20-16(21)11-12-4-3-5-15(19)10-12/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyKATKBXLIUOKDAQ-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide

2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide (PubChem CID 65350197) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
PubChem CID65350197
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)Cc1cccc(N)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-6-8-14(18)9-7-13)20-16(21)11-12-4-3-5-15(19)10-12/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyKATKBXLIUOKDAQ-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
2-(4-acetamidophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 39614047
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 113091536
4-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 65350447
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 65349911
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide
CID 43696309
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide (CID 65350197) is 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide is CC(C)(NC(=O)Cc1cccc(N)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
The InChIKey is KATKBXLIUOKDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-17(2,13-6-8-14(18)9-7-13)20-16(21)11-12-4-3-5-15(19)10-12/h3-10H,11,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide?
2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide has a molecular weight of 347.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 65350197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).