N-(4-iodo-2-methylphenyl)furan-2-carboxamide

C12H10INO2 — CID 723686

IUPACN-(4-iodo-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccco1
InChIInChI=1S/C12H10INO2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
InChIKeyWFJZFRCBUANMFQ-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.44
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)furan-2-carboxamide

N-(4-iodo-2-methylphenyl)furan-2-carboxamide (PubChem CID 723686) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)furan-2-carboxamide
PubChem CID723686
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC NameN-(4-iodo-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccco1
InChIInChI=1S/C12H10INO2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
InChIKeyWFJZFRCBUANMFQ-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

N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
CID 1234570
N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55374245
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168518948
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
N-[2-[(2-chlorophenyl)carbamoyl]-4-iodophenyl]furan-2-carboxamide
CID 1305585
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-[(4-bromo-2-methylphenyl)carbamoyl]furan-2-carboxamide
CID 110866599

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)furan-2-carboxamide (CID 723686) is N-(4-iodo-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)furan-2-carboxamide is Cc1cc(I)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
The InChIKey is WFJZFRCBUANMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c1-8-7-9(13)4-5-10(8)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15).
What are the key properties of N-(4-iodo-2-methylphenyl)furan-2-carboxamide?
N-(4-iodo-2-methylphenyl)furan-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-(4-iodo-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 723686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).