N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide

C12H17BrN2O — CID 107625152

IUPACN-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1c(Br)cccc1NC(=O)CNC(C)C
InChIInChI=1S/C12H17BrN2O/c1-8(2)14-7-12(16)15-11-6-4-5-10(13)9(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyBLOFTISVHMPXNE-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.69
Rot. Bonds4

About N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide

N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 107625152) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID107625152
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCc1c(Br)cccc1NC(=O)CNC(C)C
InChIInChI=1S/C12H17BrN2O/c1-8(2)14-7-12(16)15-11-6-4-5-10(13)9(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyBLOFTISVHMPXNE-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-2-methylphenyl)-2-(propan-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

N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
3-bromo-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 63113163
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107638371
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
CID 107625116
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide (CID 107625152) is N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide is Cc1c(Br)cccc1NC(=O)CNC(C)C.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is BLOFTISVHMPXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8(2)14-7-12(16)15-11-6-4-5-10(13)9(11)3/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 285.19 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 107625152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).