1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide

C13H17BrN2O — CID 115189978

IUPAC1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)C1(N)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-2-3-11(14)8-10(9)4-7-16-12(17)13(15)5-6-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyTZNZRBMCEPXRLN-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.91
Rot. Bonds4

About 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115189978) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115189978
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)C1(N)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-2-3-11(14)8-10(9)4-7-16-12(17)13(15)5-6-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyTZNZRBMCEPXRLN-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906
2-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179465
ethyl 2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-oxoacetate
CID 115142069
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
CID 115157613
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
N-[2-(5-bromo-2-methylphenyl)ethyl]-4-oxopentanamide
CID 115176955
2-[2-(5-bromo-2-methylphenyl)ethylcarbamoyl]butanoic acid
CID 115186061
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 115189978) is 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1ccc(Br)cc1CCNC(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is TZNZRBMCEPXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-2-3-11(14)8-10(9)4-7-16-12(17)13(15)5-6-13/h2-3,8H,4-7,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115189978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).