2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide

C12H17BrN2O2 — CID 79723461

IUPAC2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2/c1-8(4-5-16)7-15-12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyMPRFDRCZDHQGLC-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide

2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 79723461) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID79723461
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C12H17BrN2O2/c1-8(4-5-16)7-15-12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyMPRFDRCZDHQGLC-UHFFFAOYSA-N
XLogP1.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031850
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide (CID 79723461) is 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is MPRFDRCZDHQGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(4-5-16)7-15-12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide?
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 79723461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).