5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide

C16H18IN3O — CID 100646099

IUPAC5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1Nc1ccc(I)cc1
InChIInChI=1S/C16H18IN3O/c1-10(2)19-16(21)14-9-12(18)5-8-15(14)20-13-6-3-11(17)4-7-13/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyFZILMRHVDWRHEY-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.76
Rot. Bonds4

About 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide

5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide (PubChem CID 100646099) has the molecular formula C16H18IN3O and a molecular weight of 395.24 g/mol. Its IUPAC name is 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
PubChem CID100646099
Molecular FormulaC16H18IN3O
Molecular Weight395.24 g/mol
Exact Mass395.05
IUPAC Name5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(N)ccc1Nc1ccc(I)cc1
InChIInChI=1S/C16H18IN3O/c1-10(2)19-16(21)14-9-12(18)5-8-15(14)20-13-6-3-11(17)4-7-13/h3-10,20H,18H2,1-2H3,(H,19,21)
InChIKeyFZILMRHVDWRHEY-UHFFFAOYSA-N
XLogP3.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100654208
5-amino-2-(3-chloro-4-methoxyanilino)-N-propan-2-ylbenzamide
CID 100650292
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propan-2-ylbenzamide
CID 100639026
5-amino-2-(cyclooctylamino)-N-propan-2-ylbenzamide
CID 100655389
5-amino-2-(3-methoxypropylamino)-N-propan-2-ylbenzamide
CID 100640503
5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide
CID 100644281
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369
5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 100641884
5-amino-2-(4-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100648665

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide (CID 100646099) is 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(N)ccc1Nc1ccc(I)cc1.
What is the InChIKey of 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide?
The InChIKey is FZILMRHVDWRHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3O/c1-10(2)19-16(21)14-9-12(18)5-8-15(14)20-13-6-3-11(17)4-7-13/h3-10,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide?
5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide has a molecular weight of 395.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 100646099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).