N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide

C15H15ClINOS — CID 79693410

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
SMILESCC(C)C(NC(=O)c1csc(I)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClINOS/c1-9(2)14(10-3-5-12(16)6-4-10)18-15(19)11-7-13(17)20-8-11/h3-9,14H,1-2H3,(H,18,19)
InChIKeyKIHVTWHZRCBAGZ-UHFFFAOYSA-N
MW419.72 g/mol
LogP5.13
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide

N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide (PubChem CID 79693410) has the molecular formula C15H15ClINOS and a molecular weight of 419.72 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
PubChem CID79693410
Molecular FormulaC15H15ClINOS
Molecular Weight419.72 g/mol
Exact Mass418.96
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
SMILESCC(C)C(NC(=O)c1csc(I)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClINOS/c1-9(2)14(10-3-5-12(16)6-4-10)18-15(19)11-7-13(17)20-8-11/h3-9,14H,1-2H3,(H,18,19)
InChIKeyKIHVTWHZRCBAGZ-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.72
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
N-[1-(4-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78948691
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 79684876
N-(1-chloro-4-methylpentan-3-yl)-5-iodothiophene-3-carboxamide
CID 106354884
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78949059
5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 16603694

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide (CID 79693410) is N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide is CC(C)C(NC(=O)c1csc(I)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide?
The InChIKey is KIHVTWHZRCBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClINOS/c1-9(2)14(10-3-5-12(16)6-4-10)18-15(19)11-7-13(17)20-8-11/h3-9,14H,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide?
N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide has a molecular weight of 419.72 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).