5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide

C16H16ClIN2O — CID 63499868

IUPAC5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H16ClIN2O/c1-2-9-19-15-8-3-11(17)10-14(15)16(21)20-13-6-4-12(18)5-7-13/h3-8,10,19H,2,9H2,1H3,(H,20,21)
InChIKeyUTXYCBHVSLBHBT-UHFFFAOYSA-N
MW414.67 g/mol
LogP5.02
Rot. Bonds5

About 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide

5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide (PubChem CID 63499868) has the molecular formula C16H16ClIN2O and a molecular weight of 414.67 g/mol. Its IUPAC name is 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
PubChem CID63499868
Molecular FormulaC16H16ClIN2O
Molecular Weight414.67 g/mol
Exact Mass414.00
IUPAC Name5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H16ClIN2O/c1-2-9-19-15-8-3-11(17)10-14(15)16(21)20-13-6-4-12(18)5-7-13/h3-8,10,19H,2,9H2,1H3,(H,20,21)
InChIKeyUTXYCBHVSLBHBT-UHFFFAOYSA-N
XLogP5.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
CID 63499323
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
5-chloro-2-(ethylamino)-N-(4-methoxyphenyl)benzamide
CID 62171434
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-N-(4-cyanophenyl)-2-(ethylamino)benzamide
CID 62166224
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-N-(1H-imidazol-2-yl)-2-(propylamino)benzamide
CID 63563766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide (CID 63499868) is 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide?
The InChIKey is UTXYCBHVSLBHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O/c1-2-9-19-15-8-3-11(17)10-14(15)16(21)20-13-6-4-12(18)5-7-13/h3-8,10,19H,2,9H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide?
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide has a molecular weight of 414.67 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide is sourced from PubChem (CID 63499868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).