N-(3-iodophenyl)-3-methylfuran-2-carboxamide

C12H10INO2 — CID 27445102

IUPACN-(3-iodophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H10INO2/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyFWVVMMSKJSWRIB-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.44
Rot. Bonds2

About N-(3-iodophenyl)-3-methylfuran-2-carboxamide

N-(3-iodophenyl)-3-methylfuran-2-carboxamide (PubChem CID 27445102) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-methylfuran-2-carboxamide
PubChem CID27445102
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC NameN-(3-iodophenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H10INO2/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyFWVVMMSKJSWRIB-UHFFFAOYSA-N
XLogP3.44
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.44
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

3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
3-methyl-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60728536
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 115339330
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 103581989
N-(3-hydroxy-2-methylphenyl)-3-methylfuran-2-carboxamide
CID 64793072
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-(9H-fluoren-2-yl)-3-methylfuran-2-carboxamide
CID 38708919
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
N-(4-fluoro-2-iodophenyl)-3-methylfuran-2-carboxamide
CID 79766212
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 62315619

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(3-iodophenyl)-3-methylfuran-2-carboxamide (CID 27445102) is N-(3-iodophenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-3-methylfuran-2-carboxamide?
The InChIKey is FWVVMMSKJSWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c1-8-5-6-16-11(8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-iodophenyl)-3-methylfuran-2-carboxamide?
N-(3-iodophenyl)-3-methylfuran-2-carboxamide has a molecular weight of 327.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 27445102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).