N-(2-bromophenyl)-2-(hexylamino)acetamide

C14H21BrN2O — CID 60648819

IUPACN-(2-bromophenyl)-2-(hexylamino)acetamide
SMILESCCCCCCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-2-3-4-7-10-16-11-14(18)17-13-9-6-5-8-12(13)15/h5-6,8-9,16H,2-4,7,10-11H2,1H3,(H,17,18)
InChIKeyOJJWVHUYFOBOKJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.56
Rot. Bonds8

About N-(2-bromophenyl)-2-(hexylamino)acetamide

N-(2-bromophenyl)-2-(hexylamino)acetamide (PubChem CID 60648819) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(hexylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(hexylamino)acetamide
PubChem CID60648819
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(2-bromophenyl)-2-(hexylamino)acetamide
SMILESCCCCCCNCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-2-3-4-7-10-16-11-14(18)17-13-9-6-5-8-12(13)15/h5-6,8-9,16H,2-4,7,10-11H2,1H3,(H,17,18)
InChIKeyOJJWVHUYFOBOKJ-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromophenyl)-2-(hexylamino)acetamide 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-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-(2-bromophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583681
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(hexylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(hexylamino)acetamide (CID 60648819) is N-(2-bromophenyl)-2-(hexylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(hexylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(hexylamino)acetamide is CCCCCCNCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(hexylamino)acetamide?
The InChIKey is OJJWVHUYFOBOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-3-4-7-10-16-11-14(18)17-13-9-6-5-8-12(13)15/h5-6,8-9,16H,2-4,7,10-11H2,1H3,(H,17,18).
What are the key properties of N-(2-bromophenyl)-2-(hexylamino)acetamide?
N-(2-bromophenyl)-2-(hexylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(hexylamino)acetamide is sourced from PubChem (CID 60648819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).