N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide

C11H11BrINO — CID 130162731

IUPACN-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)c(I)c2)CC1
InChIInChI=1S/C11H11BrINO/c1-11(4-5-11)10(15)14-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyXLXIKGYAYKBJLC-UHFFFAOYSA-N
MW380.02 g/mol
LogP3.79
Rot. Bonds2

About N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide

N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 130162731) has the molecular formula C11H11BrINO and a molecular weight of 380.02 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID130162731
Molecular FormulaC11H11BrINO
Molecular Weight380.02 g/mol
Exact Mass378.91
IUPAC NameN-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)c(I)c2)CC1
InChIInChI=1S/C11H11BrINO/c1-11(4-5-11)10(15)14-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyXLXIKGYAYKBJLC-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.02
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 114259357
1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea
CID 130158679
N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827763
N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide
CID 117059853
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
N-(3-bromo-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 82864837
N-(2,3-dihydro-1H-indol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 119473770
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
5-[(1-aminocyclopropanecarbonyl)amino]-2-bromobenzoic acid
CID 113281134
N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 103789447

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide (CID 130162731) is N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2ccc(Br)c(I)c2)CC1.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is XLXIKGYAYKBJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrINO/c1-11(4-5-11)10(15)14-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide?
N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 380.02 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130162731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).