N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide

C18H14Cl2IN3O — CID 19392905

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
SMILESCc1cc(NC(=O)c2ccccc2I)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2IN3O/c1-11-8-17(22-18(25)13-4-2-3-5-16(13)21)23-24(11)10-12-6-7-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,22,23,25)
InChIKeyQGCAYKASGIEFRA-UHFFFAOYSA-N
MW486.14 g/mol
LogP5.40
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide (PubChem CID 19392905) has the molecular formula C18H14Cl2IN3O and a molecular weight of 486.14 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
PubChem CID19392905
Molecular FormulaC18H14Cl2IN3O
Molecular Weight486.14 g/mol
Exact Mass484.96
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
SMILESCc1cc(NC(=O)c2ccccc2I)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl2IN3O/c1-11-8-17(22-18(25)13-4-2-3-5-16(13)21)23-24(11)10-12-6-7-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,22,23,25)
InChIKeyQGCAYKASGIEFRA-UHFFFAOYSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.14
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393007
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19393072
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
(Z)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 19392916
5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393012
1-benzyl-3-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea
CID 19405608
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19393006
1-benzyl-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3-dimethylindole-5-carboxamide
CID 19392897
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide (CID 19392905) is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide is Cc1cc(NC(=O)c2ccccc2I)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide?
The InChIKey is QGCAYKASGIEFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2IN3O/c1-11-8-17(22-18(25)13-4-2-3-5-16(13)21)23-24(11)10-12-6-7-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,22,23,25).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide?
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide has a molecular weight of 486.14 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide is sourced from PubChem (CID 19392905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).