N-(4-iodophenyl)-2-methylfuran-3-carboxamide

C12H10INO2 — CID 903791

IUPACN-(4-iodophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H10INO2/c1-8-11(6-7-16-8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15)
InChIKeyJNCDQRGXQKNTSI-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.44
Rot. Bonds2

About N-(4-iodophenyl)-2-methylfuran-3-carboxamide

N-(4-iodophenyl)-2-methylfuran-3-carboxamide (PubChem CID 903791) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-methylfuran-3-carboxamide
PubChem CID903791
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC NameN-(4-iodophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H10INO2/c1-8-11(6-7-16-8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15)
InChIKeyJNCDQRGXQKNTSI-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-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 60804499
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]butanoic acid
CID 104501824
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide
CID 17359026
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-iodophenyl)-2-methylfuran-3-carboxamide (CID 903791) is N-(4-iodophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is JNCDQRGXQKNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c1-8-11(6-7-16-8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15).
What are the key properties of N-(4-iodophenyl)-2-methylfuran-3-carboxamide?
N-(4-iodophenyl)-2-methylfuran-3-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-(4-iodophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 903791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).