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

C13H16BrClN2O — CID 82765908

IUPAC2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)cc2Cl)CCCC1N
InChIInChI=1S/C13H16BrClN2O/c1-13(6-2-3-11(13)16)12(18)17-10-5-4-8(14)7-9(10)15/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18)
InChIKeySMFNEDQCTZGUDI-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.56
Rot. Bonds2

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

2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82765908) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82765908
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)cc2Cl)CCCC1N
InChIInChI=1S/C13H16BrClN2O/c1-13(6-2-3-11(13)16)12(18)17-10-5-4-8(14)7-9(10)15/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18)
InChIKeySMFNEDQCTZGUDI-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764963
2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764359
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
CID 82768134
2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763741
2-amino-N-(4-bromo-2,5-difluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 107611664
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
CID 82764559
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
4-amino-N-(5-bromo-2-chlorophenyl)-3-methyloxolane-3-carboxamide
CID 66263329
2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
CID 82765923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide (CID 82765908) is 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide is CC1(C(=O)Nc2ccc(Br)cc2Cl)CCCC1N.
What is the InChIKey of 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is SMFNEDQCTZGUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-13(6-2-3-11(13)16)12(18)17-10-5-4-8(14)7-9(10)15/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 3.56, 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-chlorophenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).