3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide

C17H18FIN2O2 — CID 150751451

IUPAC3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide
SMILESCc1cc(I)ccc1Nc1c(F)cccc1C(=O)NOC(C)C
InChIInChI=1S/C17H18FIN2O2/c1-10(2)23-21-17(22)13-5-4-6-14(18)16(13)20-15-8-7-12(19)9-11(15)3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyJVYLBSFWYDADHQ-UHFFFAOYSA-N
MW428.25 g/mol
LogP4.55
Rot. Bonds5

About 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide

3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide (PubChem CID 150751451) has the molecular formula C17H18FIN2O2 and a molecular weight of 428.25 g/mol. Its IUPAC name is 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide
PubChem CID150751451
Molecular FormulaC17H18FIN2O2
Molecular Weight428.25 g/mol
Exact Mass428.04
IUPAC Name3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide
SMILESCc1cc(I)ccc1Nc1c(F)cccc1C(=O)NOC(C)C
InChIInChI=1S/C17H18FIN2O2/c1-10(2)23-21-17(22)13-5-4-6-14(18)16(13)20-15-8-7-12(19)9-11(15)3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyJVYLBSFWYDADHQ-UHFFFAOYSA-N
XLogP4.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-N-(3-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 87738648
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
4,5-difluoro-N-(4-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286588
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-[2-hydroxy-3-(methylamino)propoxy]benzamide
CID 174404685
2-fluoro-3-methyl-N-propan-2-yloxybenzamide
CID 130778652
N-[cyclobutyl(hydroxy)methoxy]-4,5-difluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22286539
1-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]ethanone
CID 23526715
5-bromo-3,4-difluoro-N-(5-hydroxypentan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 91015235
5-chloro-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286528
N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22285937
5-bromo-3,4-difluoro-N-(2-hydroxypropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22271642
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopropyl]oxy-2-(4-iodo-2-methylanilino)benzamide
CID 22286146

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide?
The IUPAC name of 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide (CID 150751451) is 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide.
What is the SMILES notation for 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide?
The canonical SMILES for 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide is Cc1cc(I)ccc1Nc1c(F)cccc1C(=O)NOC(C)C.
What is the InChIKey of 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide?
The InChIKey is JVYLBSFWYDADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FIN2O2/c1-10(2)23-21-17(22)13-5-4-6-14(18)16(13)20-15-8-7-12(19)9-11(15)3/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide?
3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide has a molecular weight of 428.25 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide is sourced from PubChem (CID 150751451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).