2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide

C14H19BrN2O2 — CID 82768541

IUPAC2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C14H19BrN2O2/c1-14(7-3-4-12(14)16)13(18)17-11-8-9(19-2)5-6-10(11)15/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyJNKVVGRFIMHOLF-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.91
Rot. Bonds3

About 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82768541) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82768541
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C14H19BrN2O2/c1-14(7-3-4-12(14)16)13(18)17-11-8-9(19-2)5-6-10(11)15/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyJNKVVGRFIMHOLF-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
2-amino-N-(4-bromo-2,5-difluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 107611664
2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764359
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765869
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 82767463
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide (CID 82768541) is 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide is COc1ccc(Br)c(NC(=O)C2(C)CCCC2N)c1.
What is the InChIKey of 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is JNKVVGRFIMHOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(7-3-4-12(14)16)13(18)17-11-8-9(19-2)5-6-10(11)15/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82768541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).