N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide

C12H8ClFINOS — CID 78948526

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C12H8ClFINOS/c13-9-3-7(1-2-10(9)14)5-16-12(17)8-4-11(15)18-6-8/h1-4,6H,5H2,(H,16,17)
InChIKeyCDQXVBNMPKRXHY-UHFFFAOYSA-N
MW395.62 g/mol
LogP4.08
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide (PubChem CID 78948526) has the molecular formula C12H8ClFINOS and a molecular weight of 395.62 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
PubChem CID78948526
Molecular FormulaC12H8ClFINOS
Molecular Weight395.62 g/mol
Exact Mass394.90
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1csc(I)c1
InChIInChI=1S/C12H8ClFINOS/c13-9-3-7(1-2-10(9)14)5-16-12(17)8-4-11(15)18-6-8/h1-4,6H,5H2,(H,16,17)
InChIKeyCDQXVBNMPKRXHY-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.62
LogP ≤ 54.08
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

N-[(4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948423
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
2-(3-chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 103042731
N-[[4-(aminomethyl)phenyl]methyl]-5-iodothiophene-3-carboxamide
CID 81090858
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
3-[[(5-iodothiophene-3-carbonyl)amino]methyl]benzoic acid
CID 79685448
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
N-[(5-bromo-2-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948922
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide (CID 78948526) is N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1csc(I)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
The InChIKey is CDQXVBNMPKRXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFINOS/c13-9-3-7(1-2-10(9)14)5-16-12(17)8-4-11(15)18-6-8/h1-4,6H,5H2,(H,16,17).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide has a molecular weight of 395.62 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 78948526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).