4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide

C25H29FN2O3 — CID 92614108

IUPAC4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide
SMILESCOc1ccc2c(c1)c(C[C@@H](C)NC(=O)C1(c3ccccc3F)CCOCC1)cn2C
InChIInChI=1S/C25H29FN2O3/c1-17(14-18-16-28(2)23-9-8-19(30-3)15-20(18)23)27-24(29)25(10-12-31-13-11-25)21-6-4-5-7-22(21)26/h4-9,15-17H,10-14H2,1-3H3,(H,27,29)/t17-/m1/s1
InChIKeyVNOFSODTTVVMJA-QGZVFWFLSA-N
MW424.52 g/mol
LogP4.12
Rot. Bonds6

About 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide

4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide (PubChem CID 92614108) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide
PubChem CID92614108
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide
SMILESCOc1ccc2c(c1)c(C[C@@H](C)NC(=O)C1(c3ccccc3F)CCOCC1)cn2C
InChIInChI=1S/C25H29FN2O3/c1-17(14-18-16-28(2)23-9-8-19(30-3)15-20(18)23)27-24(29)25(10-12-31-13-11-25)21-6-4-5-7-22(21)26/h4-9,15-17H,10-14H2,1-3H3,(H,27,29)/t17-/m1/s1
InChIKeyVNOFSODTTVVMJA-QGZVFWFLSA-N
XLogP4.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 46974701
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 92628240
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100682348
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46975396
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
CID 92625926
4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614088
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627363
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide (CID 92614108) is 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide is COc1ccc2c(c1)c(C[C@@H](C)NC(=O)C1(c3ccccc3F)CCOCC1)cn2C.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide?
The InChIKey is VNOFSODTTVVMJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-17(14-18-16-28(2)23-9-8-19(30-3)15-20(18)23)27-24(29)25(10-12-31-13-11-25)21-6-4-5-7-22(21)26/h4-9,15-17H,10-14H2,1-3H3,(H,27,29)/t17-/m1/s1.
What are the key properties of 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide?
4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 92614108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).