N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

C19H16IN3O3 — CID 54843288

IUPACN-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(I)cc1
InChIInChI=1S/C19H16IN3O3/c20-13-6-8-14(9-7-13)22-18(24)12-21-15-3-1-4-16(11-15)23-19(25)17-5-2-10-26-17/h1-11,21H,12H2,(H,22,24)(H,23,25)
InChIKeyWRQCRARZKLXJMX-UHFFFAOYSA-N
MW461.26 g/mol
LogP4.19
Rot. Bonds6

About N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843288) has the molecular formula C19H16IN3O3 and a molecular weight of 461.26 g/mol. Its IUPAC name is N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843288
Molecular FormulaC19H16IN3O3
Molecular Weight461.26 g/mol
Exact Mass461.02
IUPAC NameN-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(I)cc1
InChIInChI=1S/C19H16IN3O3/c20-13-6-8-14(9-7-13)22-18(24)12-21-15-3-1-4-16(11-15)23-19(25)17-5-2-10-26-17/h1-11,21H,12H2,(H,22,24)(H,23,25)
InChIKeyWRQCRARZKLXJMX-UHFFFAOYSA-N
XLogP4.19
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.26
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54822034
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843268
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843452
N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54841812

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843288) is N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(I)cc1.
What is the InChIKey of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is WRQCRARZKLXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN3O3/c20-13-6-8-14(9-7-13)22-18(24)12-21-15-3-1-4-16(11-15)23-19(25)17-5-2-10-26-17/h1-11,21H,12H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 461.26 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).