N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide

C16H23BrN2O — CID 114457042

IUPACN-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide
SMILESCc1cc(Br)cc(N)c1NC(=O)CC1CCCCCC1
InChIInChI=1S/C16H23BrN2O/c1-11-8-13(17)10-14(18)16(11)19-15(20)9-12-6-4-2-3-5-7-12/h8,10,12H,2-7,9,18H2,1H3,(H,19,20)
InChIKeyWNJQLGMIPZJNRD-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.64
Rot. Bonds3

About N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide

N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide (PubChem CID 114457042) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide
PubChem CID114457042
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide
SMILESCc1cc(Br)cc(N)c1NC(=O)CC1CCCCCC1
InChIInChI=1S/C16H23BrN2O/c1-11-8-13(17)10-14(18)16(11)19-15(20)9-12-6-4-2-3-5-7-12/h8,10,12H,2-7,9,18H2,1H3,(H,19,20)
InChIKeyWNJQLGMIPZJNRD-UHFFFAOYSA-N
XLogP4.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide 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-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
CID 103714250
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide
CID 43549958
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
N-(2-amino-4-bromo-6-methylphenyl)thiane-2-carboxamide
CID 80594661
N-(2-amino-4-bromo-6-methylphenyl)oxane-3-carboxamide
CID 63010459
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 46794459
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
3-chloro-4-[(2-cyclobutylacetyl)amino]-5-methylbenzenesulfonyl chloride
CID 103164416

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide (CID 114457042) is N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide is Cc1cc(Br)cc(N)c1NC(=O)CC1CCCCCC1.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide?
The InChIKey is WNJQLGMIPZJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-8-13(17)10-14(18)16(11)19-15(20)9-12-6-4-2-3-5-7-12/h8,10,12H,2-7,9,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide?
N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide has a molecular weight of 339.28 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide is sourced from PubChem (CID 114457042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).