1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride

C13H17BrClN3O2 — CID 119762937

IUPAC1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C13H16BrN3O2.ClH/c1-8-2-3-9(14)6-10(8)17-11(18)7-16-12(19)13(15)4-5-13;/h2-3,6H,4-5,7,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyOURMRZRIRPJFBE-UHFFFAOYSA-N
MW362.66 g/mol
LogP1.73
Rot. Bonds4

About 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119762937) has the molecular formula C13H17BrClN3O2 and a molecular weight of 362.66 g/mol. Its IUPAC name is 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119762937
Molecular FormulaC13H17BrClN3O2
Molecular Weight362.66 g/mol
Exact Mass361.02
IUPAC Name1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C13H16BrN3O2.ClH/c1-8-2-3-9(14)6-10(8)17-11(18)7-16-12(19)13(15)4-5-13;/h2-3,6H,4-5,7,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyOURMRZRIRPJFBE-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119762963
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119762977
N-(5-bromo-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957842
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119762937) is 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride is Cc1ccc(Br)cc1NC(=O)CNC(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is OURMRZRIRPJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2.ClH/c1-8-2-3-9(14)6-10(8)17-11(18)7-16-12(19)13(15)4-5-13;/h2-3,6H,4-5,7,15H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 362.66 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119762937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).