5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide

C17H14BrIN2O2 — CID 31303460

IUPAC5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)ccc1I
InChIInChI=1S/C17H14BrIN2O2/c18-10-5-8-14(19)13(9-10)17(23)21-15-4-2-1-3-12(15)16(22)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,22)(H,21,23)
InChIKeyQDGWAXGWOQITMA-UHFFFAOYSA-N
MW485.12 g/mol
LogP4.20
Rot. Bonds4

About 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide

5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide (PubChem CID 31303460) has the molecular formula C17H14BrIN2O2 and a molecular weight of 485.12 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
PubChem CID31303460
Molecular FormulaC17H14BrIN2O2
Molecular Weight485.12 g/mol
Exact Mass483.93
IUPAC Name5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)ccc1I
InChIInChI=1S/C17H14BrIN2O2/c18-10-5-8-14(19)13(9-10)17(23)21-15-4-2-1-3-12(15)16(22)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,22)(H,21,23)
InChIKeyQDGWAXGWOQITMA-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.12
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
4-[(5-bromo-2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808546
4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34284736
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
5-bromo-2-butoxy-N-[2-(cyclohexylcarbamoyl)phenyl]benzamide
CID 17350012
4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26905641
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-iodobenzamide
CID 114032600
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-amino-5-bromobenzoate
CID 24557017
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
5-bromo-N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 114032603
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 100698638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide (CID 31303460) is 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide?
The InChIKey is QDGWAXGWOQITMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrIN2O2/c18-10-5-8-14(19)13(9-10)17(23)21-15-4-2-1-3-12(15)16(22)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide?
5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide has a molecular weight of 485.12 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide is sourced from PubChem (CID 31303460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).