N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide

C22H24FN3O2 — CID 29223882

IUPACN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C22H24FN3O2/c1-25-15-19(18-4-2-3-5-20(18)25)22(27)24-14-21(26-10-12-28-13-11-26)16-6-8-17(23)9-7-16/h2-9,15,21H,10-14H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyXZFLSWZOXSMSME-OAQYLSRUSA-N
MW381.45 g/mol
LogP3.12
Rot. Bonds5

About N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide (PubChem CID 29223882) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
PubChem CID29223882
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C22H24FN3O2/c1-25-15-19(18-4-2-3-5-20(18)25)22(27)24-14-21(26-10-12-28-13-11-26)16-6-8-17(23)9-7-16/h2-9,15,21H,10-14H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyXZFLSWZOXSMSME-OAQYLSRUSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
CID 92625940
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42886342
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4807578
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 55913285
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide (CID 29223882) is N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc21.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide?
The InChIKey is XZFLSWZOXSMSME-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-25-15-19(18-4-2-3-5-20(18)25)22(27)24-14-21(26-10-12-28-13-11-26)16-6-8-17(23)9-7-16/h2-9,15,21H,10-14H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 29223882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).