1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea

C15H14IN3O2 — CID 1214873

IUPAC1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea
SMILESCN(NC(=O)c1ccccc1I)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14IN3O2/c1-19(15(21)17-11-7-3-2-4-8-11)18-14(20)12-9-5-6-10-13(12)16/h2-10H,1H3,(H,17,21)(H,18,20)
InChIKeyIJSNWBPIFSSWHX-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.10
Rot. Bonds2

About 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea

1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea (PubChem CID 1214873) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea
PubChem CID1214873
Molecular FormulaC15H14IN3O2
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC Name1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea
SMILESCN(NC(=O)c1ccccc1I)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14IN3O2/c1-19(15(21)17-11-7-3-2-4-8-11)18-14(20)12-9-5-6-10-13(12)16/h2-10H,1H3,(H,17,21)(H,18,20)
InChIKeyIJSNWBPIFSSWHX-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
1-(2-iodophenyl)-3-phenyl-1-propan-2-ylurea
CID 11176437
N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
1-chloro-1-methyl-3-phenylurea
CID 173170547
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
[(2S)-1-anilino-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509622
2-hydroxy-N-phenylbenzamide
CID 157209959

Frequently Asked Questions

What is the IUPAC name of 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea?
The IUPAC name of 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea (CID 1214873) is 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea is CN(NC(=O)c1ccccc1I)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea?
The InChIKey is IJSNWBPIFSSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O2/c1-19(15(21)17-11-7-3-2-4-8-11)18-14(20)12-9-5-6-10-13(12)16/h2-10H,1H3,(H,17,21)(H,18,20).
What are the key properties of 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea?
1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea has a molecular weight of 395.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-iodobenzoyl)amino]-1-methyl-3-phenylurea is sourced from PubChem (CID 1214873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).