N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide

C13H10Cl2INOS — CID 79692774

IUPACN-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1csc(I)c1
InChIInChI=1S/C13H10Cl2INOS/c1-17(13(18)9-5-11(16)19-7-9)6-8-3-2-4-10(14)12(8)15/h2-5,7H,6H2,1H3
InChIKeyABDPIRSRJPXGNX-UHFFFAOYSA-N
MW426.11 g/mol
LogP4.93
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide

N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide (PubChem CID 79692774) has the molecular formula C13H10Cl2INOS and a molecular weight of 426.11 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
PubChem CID79692774
Molecular FormulaC13H10Cl2INOS
Molecular Weight426.11 g/mol
Exact Mass424.89
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1csc(I)c1
InChIInChI=1S/C13H10Cl2INOS/c1-17(13(18)9-5-11(16)19-7-9)6-8-3-2-4-10(14)12(8)15/h2-5,7H,6H2,1H3
InChIKeyABDPIRSRJPXGNX-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949110
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 78948437
N-[[4-(dimethylamino)phenyl]methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949482
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide (CID 79692774) is N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1csc(I)c1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
The InChIKey is ABDPIRSRJPXGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2INOS/c1-17(13(18)9-5-11(16)19-7-9)6-8-3-2-4-10(14)12(8)15/h2-5,7H,6H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide has a molecular weight of 426.11 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 79692774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).