N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide

C14H21BrN2O — CID 54914213

IUPACN-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
SMILESCC(C)CCCNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11(2)5-4-8-16-10-14(18)17-13-7-3-6-12(15)9-13/h3,6-7,9,11,16H,4-5,8,10H2,1-2H3,(H,17,18)
InChIKeyVTSUZCYHUDWPSA-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.41
Rot. Bonds7

About N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide

N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide (PubChem CID 54914213) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
PubChem CID54914213
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(3-bromophenyl)-2-(4-methylpentylamino)acetamide
SMILESCC(C)CCCNCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-11(2)5-4-8-16-10-14(18)17-13-7-3-6-12(15)9-13/h3,6-7,9,11,16H,4-5,8,10H2,1-2H3,(H,17,18)
InChIKeyVTSUZCYHUDWPSA-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-2-(4-methylpentylamino)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-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
N-(3-bromophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820248
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083
N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
CID 66178826
N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
N-(3-bromophenyl)-3-(butylamino)propanamide
CID 109012514
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 29271657
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide (CID 54914213) is N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide is CC(C)CCCNCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide?
The InChIKey is VTSUZCYHUDWPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(2)5-4-8-16-10-14(18)17-13-7-3-6-12(15)9-13/h3,6-7,9,11,16H,4-5,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide?
N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-methylpentylamino)acetamide is sourced from PubChem (CID 54914213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).