N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

C19H21IN2O2 — CID 17149351

IUPACN-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C19H21IN2O2/c1-3-4-11-21-19(24)15-7-5-6-8-17(15)22-18(23)14-10-9-13(2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVWIDOCMVSTZVEL-UHFFFAOYSA-N
MW436.29 g/mol
LogP4.38
Rot. Bonds6

About N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (PubChem CID 17149351) has the molecular formula C19H21IN2O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
PubChem CID17149351
Molecular FormulaC19H21IN2O2
Molecular Weight436.29 g/mol
Exact Mass436.06
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C19H21IN2O2/c1-3-4-11-21-19(24)15-7-5-6-8-17(15)22-18(23)14-10-9-13(2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVWIDOCMVSTZVEL-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 17086926
N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 4949588
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (CID 17149351) is N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(I)c1.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The InChIKey is VWIDOCMVSTZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2/c1-3-4-11-21-19(24)15-7-5-6-8-17(15)22-18(23)14-10-9-13(2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide has a molecular weight of 436.29 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is sourced from PubChem (CID 17149351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).