3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide

C18H19IN2O2 — CID 4945980

IUPAC3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C18H19IN2O2/c1-3-10-20-18(23)14-6-4-5-7-16(14)21-17(22)13-9-8-12(2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNJKHVKQZAARAEH-UHFFFAOYSA-N
MW422.27 g/mol
LogP3.99
Rot. Bonds5

About 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide

3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide (PubChem CID 4945980) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
PubChem CID4945980
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC Name3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C18H19IN2O2/c1-3-10-20-18(23)14-6-4-5-7-16(14)21-17(22)13-9-8-12(2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNJKHVKQZAARAEH-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 53.99
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-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 4949588
3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750889
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 17086926
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide (CID 4945980) is 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(I)c1.
What is the InChIKey of 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is NJKHVKQZAARAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-3-10-20-18(23)14-6-4-5-7-16(14)21-17(22)13-9-8-12(2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide?
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 422.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 4945980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).