2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide

C17H17IN2O2 — CID 34567999

IUPAC2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C17H17IN2O2/c1-11(2)19-17(22)14-8-3-4-9-15(14)20-16(21)12-6-5-7-13(18)10-12/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyPRAOBCLDSGJHNJ-UHFFFAOYSA-N
MW408.24 g/mol
LogP3.68
Rot. Bonds4

About 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide

2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 34567999) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID34567999
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC Name2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C17H17IN2O2/c1-11(2)19-17(22)14-8-3-4-9-15(14)20-16(21)12-6-5-7-13(18)10-12/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyPRAOBCLDSGJHNJ-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.68
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-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide (CID 34567999) is 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(I)c1.
What is the InChIKey of 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is PRAOBCLDSGJHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-11(2)19-17(22)14-8-3-4-9-15(14)20-16(21)12-6-5-7-13(18)10-12/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide?
2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 408.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 34567999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).