1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide

C11H12BrN3O3 — CID 104815289

IUPAC1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12BrN3O3/c1-6-4-7(12)8(5-9(6)15(17)18)14-10(16)11(13)2-3-11/h4-5H,2-3,13H2,1H3,(H,14,16)
InChIKeyMUJLKXYCNDURAW-UHFFFAOYSA-N
MW314.14 g/mol
LogP2.10
Rot. Bonds3

About 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide

1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 104815289) has the molecular formula C11H12BrN3O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID104815289
Molecular FormulaC11H12BrN3O3
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2(N)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12BrN3O3/c1-6-4-7(12)8(5-9(6)15(17)18)14-10(16)11(13)2-3-11/h4-5H,2-3,13H2,1H3,(H,14,16)
InChIKeyMUJLKXYCNDURAW-UHFFFAOYSA-N
XLogP2.10
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,4-dimethyl-5-nitrophenyl)oxane-4-carboxamide
CID 104757718
N-(2-bromo-4-methyl-5-nitrophenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 104815337
3-amino-N-(2,4-dimethyl-5-nitrophenyl)oxolane-3-carboxamide
CID 104757785
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)butanamide
CID 104815291
N-(2-bromo-4-methyl-5-nitrophenyl)-2-cyanoacetamide
CID 113456286
2-[(2-bromo-4-methyl-5-nitrophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104815405
N-(2-bromo-4-methyl-5-nitrophenyl)-5-chlorofuran-2-carboxamide
CID 104696606
2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 104815294
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 107570599
N-(2-bromo-4-methyl-5-nitrophenyl)-2-(propylamino)acetamide
CID 104815211
2-(2-aminoethoxy)-N-(2-bromo-4-methyl-5-nitrophenyl)acetamide
CID 104815312
2-bromo-4-methyl-N-[1-(1-methylcyclopropyl)ethyl]-5-nitroaniline
CID 104815108

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide (CID 104815289) is 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide is Cc1cc(Br)c(NC(=O)C2(N)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is MUJLKXYCNDURAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3/c1-6-4-7(12)8(5-9(6)15(17)18)14-10(16)11(13)2-3-11/h4-5H,2-3,13H2,1H3,(H,14,16).
What are the key properties of 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 314.14 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-bromo-4-methyl-5-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 104815289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).