N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide

C22H24FN3O2 — CID 46974700

IUPACN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
SMILESCn1cc(CCNC(=O)c2ccc(N3CCOCC3)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H24FN3O2/c1-25-15-17(20-14-18(23)4-7-21(20)25)8-9-24-22(27)16-2-5-19(6-3-16)26-10-12-28-13-11-26/h2-7,14-15H,8-13H2,1H3,(H,24,27)
InChIKeyPQMXIQRCBPFSIW-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide

N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide (PubChem CID 46974700) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
PubChem CID46974700
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
SMILESCn1cc(CCNC(=O)c2ccc(N3CCOCC3)cc2)c2cc(F)ccc21
InChIInChI=1S/C22H24FN3O2/c1-25-15-17(20-14-18(23)4-7-21(20)25)8-9-24-22(27)16-2-5-19(6-3-16)26-10-12-28-13-11-26/h2-7,14-15H,8-13H2,1H3,(H,24,27)
InChIKeyPQMXIQRCBPFSIW-UHFFFAOYSA-N
XLogP3.13
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
CID 84582508
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 46974701
2-chloro-N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-5-pyrazol-1-ylbenzamide
CID 46975356
N,N-dimethyl-2-(1-methyl-5-morpholin-4-ylindol-3-yl)ethanamine
CID 176799532
4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426436
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 138035822
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82500619
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide (CID 46974700) is N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide is Cn1cc(CCNC(=O)c2ccc(N3CCOCC3)cc2)c2cc(F)ccc21.
What is the InChIKey of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide?
The InChIKey is PQMXIQRCBPFSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-25-15-17(20-14-18(23)4-7-21(20)25)8-9-24-22(27)16-2-5-19(6-3-16)26-10-12-28-13-11-26/h2-7,14-15H,8-13H2,1H3,(H,24,27).
What are the key properties of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide?
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide has a molecular weight of 381.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 46974700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).