5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide

C18H18FIN2O — CID 60616291

IUPAC5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
SMILESCC1Cc2ccccc2N1CCNC(=O)c1cc(F)ccc1I
InChIInChI=1S/C18H18FIN2O/c1-12-10-13-4-2-3-5-17(13)22(12)9-8-21-18(23)15-11-14(19)6-7-16(15)20/h2-7,11-12H,8-10H2,1H3,(H,21,23)
InChIKeyNMSTWAHOXKRMDU-UHFFFAOYSA-N
MW424.26 g/mol
LogP3.61
Rot. Bonds4

About 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide

5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide (PubChem CID 60616291) has the molecular formula C18H18FIN2O and a molecular weight of 424.26 g/mol. Its IUPAC name is 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
PubChem CID60616291
Molecular FormulaC18H18FIN2O
Molecular Weight424.26 g/mol
Exact Mass424.04
IUPAC Name5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
SMILESCC1Cc2ccccc2N1CCNC(=O)c1cc(F)ccc1I
InChIInChI=1S/C18H18FIN2O/c1-12-10-13-4-2-3-5-17(13)22(12)9-8-21-18(23)15-11-14(19)6-7-16(15)20/h2-7,11-12H,8-10H2,1H3,(H,21,23)
InChIKeyNMSTWAHOXKRMDU-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 53.61
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

3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
1-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-2-oxopyridine-4-carboxamide
CID 95235616
2-(2-fluorophenyl)-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60616325
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3,5-dinitrobenzamide
CID 60599573
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95238811
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
N-(5-fluoro-2-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 18084849
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide?
The IUPAC name of 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide (CID 60616291) is 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide?
The canonical SMILES for 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide is CC1Cc2ccccc2N1CCNC(=O)c1cc(F)ccc1I.
What is the InChIKey of 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide?
The InChIKey is NMSTWAHOXKRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FIN2O/c1-12-10-13-4-2-3-5-17(13)22(12)9-8-21-18(23)15-11-14(19)6-7-16(15)20/h2-7,11-12H,8-10H2,1H3,(H,21,23).
What are the key properties of 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide?
5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide has a molecular weight of 424.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 60616291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).