N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

C20H17IN2O3 — CID 2892418

IUPACN-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)C(NC(=O)c2ccco2)Nc2cccc(I)c2)cc1
InChIInChI=1S/C20H17IN2O3/c1-13-7-9-14(10-8-13)18(24)19(22-16-5-2-4-15(21)12-16)23-20(25)17-6-3-11-26-17/h2-12,19,22H,1H3,(H,23,25)
InChIKeyOBIXKWPOGHHJOT-UHFFFAOYSA-N
MW460.27 g/mol
LogP4.24
Rot. Bonds6

About N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 2892418) has the molecular formula C20H17IN2O3 and a molecular weight of 460.27 g/mol. Its IUPAC name is N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID2892418
Molecular FormulaC20H17IN2O3
Molecular Weight460.27 g/mol
Exact Mass460.03
IUPAC NameN-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)C(NC(=O)c2ccco2)Nc2cccc(I)c2)cc1
InChIInChI=1S/C20H17IN2O3/c1-13-7-9-14(10-8-13)18(24)19(22-16-5-2-4-15(21)12-16)23-20(25)17-6-3-11-26-17/h2-12,19,22H,1H3,(H,23,25)
InChIKeyOBIXKWPOGHHJOT-UHFFFAOYSA-N
XLogP4.24
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.27
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120897
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 7116359
N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348306
N-[(1S)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348307
N-[(1R)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120894
N-[(1S)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120893
N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984730
N-[1-(3-chloro-2-methylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892617
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
N-[(1S)-1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 7024999
2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
CID 7085502

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 2892418) is N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is Cc1ccc(C(=O)C(NC(=O)c2ccco2)Nc2cccc(I)c2)cc1.
What is the InChIKey of N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is OBIXKWPOGHHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O3/c1-13-7-9-14(10-8-13)18(24)19(22-16-5-2-4-15(21)12-16)23-20(25)17-6-3-11-26-17/h2-12,19,22H,1H3,(H,23,25).
What are the key properties of N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 460.27 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2892418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).