1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide

C13H17BrN2O — CID 54925430

IUPAC1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-9-8-10(4-5-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyBMSIARMLYOOUBD-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.97
Rot. Bonds2

About 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide

1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 54925430) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID54925430
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(N)CCCC2)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-9-8-10(4-5-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyBMSIARMLYOOUBD-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide (CID 54925430) is 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(N)CCCC2)ccc1Br.
What is the InChIKey of 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is BMSIARMLYOOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-8-10(4-5-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide?
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 54925430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).