1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

C11H14BrClN2O — CID 119673461

IUPAC1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2(N)CC2)ccc1Br.Cl
InChIInChI=1S/C11H13BrN2O.ClH/c1-7-6-8(2-3-9(7)12)14-10(15)11(13)4-5-11;/h2-3,6H,4-5,13H2,1H3,(H,14,15);1H
InChIKeyKPMPNRXVDNQNBE-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.61
Rot. Bonds2

About 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119673461) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119673461
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)C2(N)CC2)ccc1Br.Cl
InChIInChI=1S/C11H13BrN2O.ClH/c1-7-6-8(2-3-9(7)12)14-10(15)11(13)4-5-11;/h2-3,6H,4-5,13H2,1H3,(H,14,15);1H
InChIKeyKPMPNRXVDNQNBE-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119673461) is 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is Cc1cc(NC(=O)C2(N)CC2)ccc1Br.Cl.
What is the InChIKey of 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is KPMPNRXVDNQNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O.ClH/c1-7-6-8(2-3-9(7)12)14-10(15)11(13)4-5-11;/h2-3,6H,4-5,13H2,1H3,(H,14,15);1H.
What are the key properties of 1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 305.60 g/mol, XLogP of 2.61, 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)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119673461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).