3-amino-4-bromo-N-(7-methyloctyl)benzamide

C16H25BrN2O — CID 107813039

IUPAC3-amino-4-bromo-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C16H25BrN2O/c1-12(2)7-5-3-4-6-10-19-16(20)13-8-9-14(17)15(18)11-13/h8-9,11-12H,3-7,10,18H2,1-2H3,(H,19,20)
InChIKeyKZZLOPLIVROHBW-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.37
Rot. Bonds8

About 3-amino-4-bromo-N-(7-methyloctyl)benzamide

3-amino-4-bromo-N-(7-methyloctyl)benzamide (PubChem CID 107813039) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(7-methyloctyl)benzamide
PubChem CID107813039
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name3-amino-4-bromo-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C16H25BrN2O/c1-12(2)7-5-3-4-6-10-19-16(20)13-8-9-14(17)15(18)11-13/h8-9,11-12H,3-7,10,18H2,1-2H3,(H,19,20)
InChIKeyKZZLOPLIVROHBW-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-4-bromo-N-(7-methyloctyl)benzamide 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

4-amino-N-(6-methylheptyl)benzamide
CID 22753103
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
methyl 4-[(3-amino-4-bromobenzoyl)amino]butanoate
CID 114003913
3-amino-4-bromo-N-hex-5-ynylbenzamide
CID 106208187
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
3-amino-4-bromo-N-(3-ethylsulfanylpropyl)benzamide
CID 114247757
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(7-methyloctyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(7-methyloctyl)benzamide (CID 107813039) is 3-amino-4-bromo-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(7-methyloctyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(7-methyloctyl)benzamide is CC(C)CCCCCCNC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(7-methyloctyl)benzamide?
The InChIKey is KZZLOPLIVROHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(2)7-5-3-4-6-10-19-16(20)13-8-9-14(17)15(18)11-13/h8-9,11-12H,3-7,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-4-bromo-N-(7-methyloctyl)benzamide?
3-amino-4-bromo-N-(7-methyloctyl)benzamide has a molecular weight of 341.29 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(7-methyloctyl)benzamide is sourced from PubChem (CID 107813039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).