N-(4-amino-2-bromophenyl)-2-ethylhexanamide

C14H21BrN2O — CID 43549454

IUPACN-(4-amino-2-bromophenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-5-6-10(4-2)14(18)17-13-8-7-11(16)9-12(13)15/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyACXLNBKWFJTVJG-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.19
Rot. Bonds6

About N-(4-amino-2-bromophenyl)-2-ethylhexanamide

N-(4-amino-2-bromophenyl)-2-ethylhexanamide (PubChem CID 43549454) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-ethylhexanamide
PubChem CID43549454
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-amino-2-bromophenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-5-6-10(4-2)14(18)17-13-8-7-11(16)9-12(13)15/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyACXLNBKWFJTVJG-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-bromophenyl)-2-ethylhexanamide 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

N-(2-amino-4-bromophenyl)-2-ethylhexanamide
CID 43130493
N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
CID 43548371
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
CID 43246745
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159
N-(4-amino-2-bromophenyl)-3-methylpentanamide
CID 114873501
N-(2-amino-5-methoxyphenyl)-2-ethylhexanamide;hydrochloride
CID 120607557
N-(4-amino-2,5-dimethoxyphenyl)-2-ethylhexanamide
CID 139792961
N-(3-amino-4-methylphenyl)-2-ethylhexanamide
CID 43125441

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-ethylhexanamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-ethylhexanamide (CID 43549454) is N-(4-amino-2-bromophenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-ethylhexanamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-ethylhexanamide?
The InChIKey is ACXLNBKWFJTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-5-6-10(4-2)14(18)17-13-8-7-11(16)9-12(13)15/h7-10H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2-bromophenyl)-2-ethylhexanamide?
N-(4-amino-2-bromophenyl)-2-ethylhexanamide has a molecular weight of 313.24 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-ethylhexanamide is sourced from PubChem (CID 43549454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).