2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide

C16H17BrN2O — CID 79714001

IUPAC2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C16H17BrN2O/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(17)9-14(13)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyNSYHAJMXSFFQDO-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.41
Rot. Bonds3

About 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide

2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 79714001) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
PubChem CID79714001
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C16H17BrN2O/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(17)9-14(13)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyNSYHAJMXSFFQDO-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.41
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

2-amino-4-bromo-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 79721735
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
2-[(2-amino-4-bromobenzoyl)amino]benzoic acid
CID 79721511
5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
CID 61092146
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
2-amino-4-bromo-N-(2-nitrophenyl)benzamide
CID 79714381
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
CID 804702
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide (CID 79714001) is 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is NSYHAJMXSFFQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10(2)12-5-3-4-6-15(12)19-16(20)13-8-7-11(17)9-14(13)18/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide?
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 333.23 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 79714001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).