N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide

C20H20FN3O2 — CID 31936268

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C20H20FN3O2/c1-12-6-4-7-13(2)19(12)23-18(25)11-24(3)20(26)17-10-14-15(21)8-5-9-16(14)22-17/h4-10,22H,11H2,1-3H3,(H,23,25)
InChIKeyACKQRVYJPMMQEN-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 31936268) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
PubChem CID31936268
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C20H20FN3O2/c1-12-6-4-7-13(2)19(12)23-18(25)11-24(3)20(26)17-10-14-15(21)8-5-9-16(14)22-17/h4-10,22H,11H2,1-3H3,(H,23,25)
InChIKeyACKQRVYJPMMQEN-UHFFFAOYSA-N
XLogP3.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
CID 36704751
4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide
CID 110852607
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 36711727
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
2,3,4,5-tetrafluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 29427521
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-methylsulfanylbenzamide
CID 27788246

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide (CID 31936268) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is ACKQRVYJPMMQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-6-4-7-13(2)19(12)23-18(25)11-24(3)20(26)17-10-14-15(21)8-5-9-16(14)22-17/h4-10,22H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 31936268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).