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

C17H19IN2O — CID 63499323

IUPACN-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C17H19IN2O/c1-3-10-19-16-9-4-12(2)11-15(16)17(21)20-14-7-5-13(18)6-8-14/h4-9,11,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyVXJWKNNGVIFKGJ-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.67
Rot. Bonds5

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

N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide (PubChem CID 63499323) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
PubChem CID63499323
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC NameN-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C17H19IN2O/c1-3-10-19-16-9-4-12(2)11-15(16)17(21)20-14-7-5-13(18)6-8-14/h4-9,11,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyVXJWKNNGVIFKGJ-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.67
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

N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
N-(4-fluorophenyl)-5-methyl-2-(propylamino)benzamide
CID 62510349
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589993
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62509479
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
N-(dicyclopropylmethyl)-5-methyl-2-(propylamino)benzamide
CID 62510099
2-(ethylamino)-N-(4-fluoro-3-methylphenyl)-5-methylbenzamide
CID 62813653
2-[(4-iodophenyl)carbamoylamino]-5-methylbenzoic acid
CID 63549498

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide?
The IUPAC name of N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide (CID 63499323) is N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide?
The canonical SMILES for N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide is CCCNc1ccc(C)cc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide?
The InChIKey is VXJWKNNGVIFKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-3-10-19-16-9-4-12(2)11-15(16)17(21)20-14-7-5-13(18)6-8-14/h4-9,11,19H,3,10H2,1-2H3,(H,20,21).
What are the key properties of N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide?
N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide has a molecular weight of 394.26 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide is sourced from PubChem (CID 63499323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).