1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone

C15H13FINO2 — CID 110823700

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone
SMILESCOc1ccc(C(=O)CNc2cccc(I)c2)cc1F
InChIInChI=1S/C15H13FINO2/c1-20-15-6-5-10(7-13(15)16)14(19)9-18-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3
InChIKeyHIDQHQQRJTZLLB-UHFFFAOYSA-N
MW385.18 g/mol
LogP3.73
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone

1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone (PubChem CID 110823700) has the molecular formula C15H13FINO2 and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone
PubChem CID110823700
Molecular FormulaC15H13FINO2
Molecular Weight385.18 g/mol
Exact Mass385.00
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone
SMILESCOc1ccc(C(=O)CNc2cccc(I)c2)cc1F
InChIInChI=1S/C15H13FINO2/c1-20-15-6-5-10(7-13(15)16)14(19)9-18-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3
InChIKeyHIDQHQQRJTZLLB-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromoanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823677
2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823709
1-(3-fluoro-4-methoxyphenyl)-2-(4-nitroanilino)ethanone
CID 110823681
2-(4-chloro-3-nitroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823710
methyl 2-(3-iodoanilino)acetate
CID 19829858
4-fluoro-N-(3-iodophenyl)-3-methoxybenzamide
CID 80948390
1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
CID 82122507
1-(3-fluoro-4-methoxyphenyl)-2-(2-nitroanilino)ethanone
CID 110823679
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone (CID 110823700) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone is COc1ccc(C(=O)CNc2cccc(I)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone?
The InChIKey is HIDQHQQRJTZLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO2/c1-20-15-6-5-10(7-13(15)16)14(19)9-18-12-4-2-3-11(17)8-12/h2-8,18H,9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone?
1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone has a molecular weight of 385.18 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone is sourced from PubChem (CID 110823700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).