5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide

C22H22FN3O3 — CID 110614503

IUPAC5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1cccc(C(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C22H22FN3O3/c1-13-12-26(8-9-29-13)22(28)15-4-3-5-17(10-15)25-21(27)20-14(2)24-19-7-6-16(23)11-18(19)20/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H,25,27)
InChIKeyPVOIKCNFDLTDTO-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.73
Rot. Bonds3

About 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide

5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 110614503) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide
PubChem CID110614503
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1cccc(C(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C22H22FN3O3/c1-13-12-26(8-9-29-13)22(28)15-4-3-5-17(10-15)25-21(27)20-14(2)24-19-7-6-16(23)11-18(19)20/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H,25,27)
InChIKeyPVOIKCNFDLTDTO-UHFFFAOYSA-N
XLogP3.73
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110614506
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352983
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 110671876
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110614500
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38372236
N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110426827
5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide
CID 110623482

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide (CID 110614503) is 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)Nc1cccc(C(=O)N2CCOC(C)C2)c1.
What is the InChIKey of 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is PVOIKCNFDLTDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-13-12-26(8-9-29-13)22(28)15-4-3-5-17(10-15)25-21(27)20-14(2)24-19-7-6-16(23)11-18(19)20/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H,25,27).
What are the key properties of 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide?
5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 110614503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).