N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline

C17H14INO — CID 43785167

IUPACN-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
SMILESIc1ccc(CNc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C17H14INO/c18-17-11-10-16(20-17)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,19H,12H2
InChIKeyLNLNKAFTLIOWHD-UHFFFAOYSA-N
MW375.21 g/mol
LogP5.16
Rot. Bonds4

About N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline

N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline (PubChem CID 43785167) has the molecular formula C17H14INO and a molecular weight of 375.21 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
PubChem CID43785167
Molecular FormulaC17H14INO
Molecular Weight375.21 g/mol
Exact Mass375.01
IUPAC NameN-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
SMILESIc1ccc(CNc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C17H14INO/c18-17-11-10-16(20-17)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,19H,12H2
InChIKeyLNLNKAFTLIOWHD-UHFFFAOYSA-N
XLogP5.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.21
LogP ≤ 55.16
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-[(furan-2-yl)methyl]aniline
CID 57541
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
N-[4-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 977240
1-Benzyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylphenyl)thiourea
CID 4276668
5-methyl-N-(2-phenylphenyl)furan-2-carboxamide
CID 2088886
3-benzamido-N-(furan-2-ylmethyl)benzamide
CID 2162626
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 56827346
2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 90681433
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
4-fluoro-N-[[5-[(4-fluoroanilino)methyl]furan-2-yl]methyl]aniline
CID 155533606
2-fluoro-N-[[5-[(2-fluoroanilino)methyl]furan-2-yl]methyl]aniline
CID 155547326
2-ethyl-N-[[5-[(2-ethylanilino)methyl]furan-2-yl]methyl]aniline
CID 155556242

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline?
The IUPAC name of N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline (CID 43785167) is N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline?
The canonical SMILES for N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline is Ic1ccc(CNc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline?
The InChIKey is LNLNKAFTLIOWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO/c18-17-11-10-16(20-17)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,19H,12H2.
What are the key properties of N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline?
N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline has a molecular weight of 375.21 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline is sourced from PubChem (CID 43785167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).