2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide

C14H19BrN2O — CID 82764963

IUPAC2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H19BrN2O/c1-9-8-10(15)5-6-11(9)17-13(18)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyMTZQMNAYUPTWIR-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.21
Rot. Bonds2

About 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82764963) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82764963
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H19BrN2O/c1-9-8-10(15)5-6-11(9)17-13(18)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyMTZQMNAYUPTWIR-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide 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

2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
2-amino-N-(4-bromo-2,5-difluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 107611664
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
CID 82765923
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
2-amino-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)cyclopentane-1-carboxamide
CID 104619076
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
2-amino-1-methyl-N-(4-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 82759601
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
CID 82768134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide (CID 82764963) is 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is MTZQMNAYUPTWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-8-10(15)5-6-11(9)17-13(18)14(2)7-3-4-12(14)16/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82764963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).