2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide

C17H16ClIN2O2 — CID 1297056

IUPAC2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1
InChIInChI=1S/C17H16ClIN2O2/c1-10(2)16(22)20-12-4-6-13(7-5-12)21-17(23)14-9-11(19)3-8-15(14)18/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQWNWBKAXWXYALJ-UHFFFAOYSA-N
MW442.68 g/mol
LogP4.79
Rot. Bonds4

About 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide

2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 1297056) has the molecular formula C17H16ClIN2O2 and a molecular weight of 442.68 g/mol. Its IUPAC name is 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID1297056
Molecular FormulaC17H16ClIN2O2
Molecular Weight442.68 g/mol
Exact Mass441.99
IUPAC Name2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1
InChIInChI=1S/C17H16ClIN2O2/c1-10(2)16(22)20-12-4-6-13(7-5-12)21-17(23)14-9-11(19)3-8-15(14)18/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQWNWBKAXWXYALJ-UHFFFAOYSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.68
LogP ≤ 54.79
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-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
CID 1118900
2-chloro-N-(3,4-dimethoxyphenyl)-5-iodobenzamide
CID 3939031
2,4-dichloro-N-[4-[1-(4-iodoanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 21170590
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
2-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-iodobenzamide
CID 43914888
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36556789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide (CID 1297056) is 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is QWNWBKAXWXYALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIN2O2/c1-10(2)16(22)20-12-4-6-13(7-5-12)21-17(23)14-9-11(19)3-8-15(14)18/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide?
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 442.68 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 1297056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).