N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide

C20H18FN3O2 — CID 86963762

IUPACN-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc12
InChIInChI=1S/C20H18FN3O2/c1-11(2)26-19-5-4-13(10-22)7-17(19)24-20(25)18-9-15-12(3)6-14(21)8-16(15)23-18/h4-9,11,23H,1-3H3,(H,24,25)
InChIKeyOPTCUWFZKZYXGV-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.53
Rot. Bonds4

About N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide

N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide (PubChem CID 86963762) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide
PubChem CID86963762
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc12
InChIInChI=1S/C20H18FN3O2/c1-11(2)26-19-5-4-13(10-22)7-17(19)24-20(25)18-9-15-12(3)6-14(21)8-16(15)23-18/h4-9,11,23H,1-3H3,(H,24,25)
InChIKeyOPTCUWFZKZYXGV-UHFFFAOYSA-N
XLogP4.53
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-cyano-2-propan-2-yloxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47704156
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
N-(2,5-dimethoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134032979
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86834751
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188123
N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134050967
6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide
CID 167826713

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide (CID 86963762) is N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide is Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc12.
What is the InChIKey of N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide?
The InChIKey is OPTCUWFZKZYXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11(2)26-19-5-4-13(10-22)7-17(19)24-20(25)18-9-15-12(3)6-14(21)8-16(15)23-18/h4-9,11,23H,1-3H3,(H,24,25).
What are the key properties of N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide?
N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 86963762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).