6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide

C20H20FN3O2 — CID 167826713

IUPAC6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)Nc3ccc(C4CNCCO4)cc3)cc12
InChIInChI=1S/C20H20FN3O2/c1-12-8-14(21)9-17-16(12)10-18(24-17)20(25)23-15-4-2-13(3-5-15)19-11-22-6-7-26-19/h2-5,8-10,19,22,24H,6-7,11H2,1H3,(H,23,25)
InChIKeyUFIFVQUSUBWHGG-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.53
Rot. Bonds3

About 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide

6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide (PubChem CID 167826713) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide
PubChem CID167826713
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)Nc3ccc(C4CNCCO4)cc3)cc12
InChIInChI=1S/C20H20FN3O2/c1-12-8-14(21)9-17-16(12)10-18(24-17)20(25)23-15-4-2-13(3-5-15)19-11-22-6-7-26-19/h2-5,8-10,19,22,24H,6-7,11H2,1H3,(H,23,25)
InChIKeyUFIFVQUSUBWHGG-UHFFFAOYSA-N
XLogP3.53
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
8-fluoro-2-methyl-N-(4-morpholin-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167847716
5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704700
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113263
2-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113057
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 56836053

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide (CID 167826713) is 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide is Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(C4CNCCO4)cc3)cc12.
What is the InChIKey of 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide?
The InChIKey is UFIFVQUSUBWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-8-14(21)9-17-16(12)10-18(24-17)20(25)23-15-4-2-13(3-5-15)19-11-22-6-7-26-19/h2-5,8-10,19,22,24H,6-7,11H2,1H3,(H,23,25).
What are the key properties of 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide?
6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 167826713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).