N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

C27H25FN2O3 — CID 16600556

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C27H25FN2O3/c1-32-19-9-6-17(7-10-19)27-20(22-16-18(28)8-12-23(22)30-27)11-13-26(31)29-24-14-15-33-25-5-3-2-4-21(24)25/h2-10,12,16,24,30H,11,13-15H2,1H3,(H,29,31)
InChIKeyVLQGXCKBJOAFPO-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.56
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (PubChem CID 16600556) has the molecular formula C27H25FN2O3 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
PubChem CID16600556
Molecular FormulaC27H25FN2O3
Molecular Weight444.51 g/mol
Exact Mass444.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C27H25FN2O3/c1-32-19-9-6-17(7-10-19)27-20(22-16-18(28)8-12-23(22)30-27)11-13-26(31)29-24-14-15-33-25-5-3-2-4-21(24)25/h2-10,12,16,24,30H,11,13-15H2,1H3,(H,29,31)
InChIKeyVLQGXCKBJOAFPO-UHFFFAOYSA-N
XLogP5.56
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 16595064
3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
CID 16613871
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135665164
3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 18160431
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 94017682
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17397593
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
CID 42025322

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (CID 16600556) is N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The InChIKey is VLQGXCKBJOAFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3/c1-32-19-9-6-17(7-10-19)27-20(22-16-18(28)8-12-23(22)30-27)11-13-26(31)29-24-14-15-33-25-5-3-2-4-21(24)25/h2-10,12,16,24,30H,11,13-15H2,1H3,(H,29,31).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide has a molecular weight of 444.51 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 16600556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).