4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide

C20H23FIN3O — CID 10173990

IUPAC4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C20H23FIN3O/c1-14-12-16(22)5-7-18(14)24-19-13-15(21)4-6-17(19)20(26)23-8-11-25-9-2-3-10-25/h4-7,12-13,24H,2-3,8-11H2,1H3,(H,23,26)
InChIKeyALEXORMOTRNKGS-UHFFFAOYSA-N
MW467.33 g/mol
LogP4.31
Rot. Bonds6

About 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide

4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 10173990) has the molecular formula C20H23FIN3O and a molecular weight of 467.33 g/mol. Its IUPAC name is 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID10173990
Molecular FormulaC20H23FIN3O
Molecular Weight467.33 g/mol
Exact Mass467.09
IUPAC Name4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C20H23FIN3O/c1-14-12-16(22)5-7-18(14)24-19-13-15(21)4-6-17(19)20(26)23-8-11-25-9-2-3-10-25/h4-7,12-13,24H,2-3,8-11H2,1H3,(H,23,26)
InChIKeyALEXORMOTRNKGS-UHFFFAOYSA-N
XLogP4.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 10173887
5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 22225983
2,3-difluoro-4-(4-iodo-2-methylanilino)-5-(2-morpholin-4-ylethylcarbamoyl)benzoic acid
CID 87903700
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
CID 10216768
N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22285937
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide
CID 173277052
2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(2-phenylethyl)benzamide;2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 157379072
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide
CID 159834623
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]-3-methylphenyl]-5-N-(2-piperidin-1-ylethyl)-1H-imidazole-4,5-dicarboxamide
CID 118424123
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 10173990) is 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCN1CCCC1.
What is the InChIKey of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ALEXORMOTRNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FIN3O/c1-14-12-16(22)5-7-18(14)24-19-13-15(21)4-6-17(19)20(26)23-8-11-25-9-2-3-10-25/h4-7,12-13,24H,2-3,8-11H2,1H3,(H,23,26).
What are the key properties of 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 467.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 10173990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).