N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide

C14H21BrN2O — CID 55050254

IUPACN-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
SMILESCCCCC(C)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-4-7-11(2)16-10-14(18)17-13-9-6-5-8-12(13)15/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyJGKMUAYTCAJHCM-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.56
Rot. Bonds7

About N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide

N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide (PubChem CID 55050254) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
PubChem CID55050254
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
SMILESCCCCC(C)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-4-7-11(2)16-10-14(18)17-13-9-6-5-8-12(13)15/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,17,18)
InChIKeyJGKMUAYTCAJHCM-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-2-(hexan-2-ylamino)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

3-[[2-(2-bromoanilino)-2-oxoethyl]amino]butanamide
CID 115572702
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-(2-bromophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086074
N-(2-bromophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401788
2-[[(2R)-pentan-2-yl]amino]-N-(2-phenylphenyl)acetamide
CID 2112768
N-(2-bromophenyl)butanamide
CID 732405
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 61474369
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide (CID 55050254) is N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide is CCCCC(C)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide?
The InChIKey is JGKMUAYTCAJHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-4-7-11(2)16-10-14(18)17-13-9-6-5-8-12(13)15/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide?
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide is sourced from PubChem (CID 55050254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).