5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide

C25H23FN2O4 — CID 58125938

IUPAC5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc(CO)c1OC
InChIInChI=1S/C25H23FN2O4/c1-31-21-11-15(10-17(14-29)24(21)32-2)13-27-25(30)23-22(16-6-4-3-5-7-16)19-12-18(26)8-9-20(19)28-23/h3-12,28-29H,13-14H2,1-2H3,(H,27,30)
InChIKeyLGLZASCNVAYQNI-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.41
Rot. Bonds7

About 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide

5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 58125938) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
PubChem CID58125938
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc(CO)c1OC
InChIInChI=1S/C25H23FN2O4/c1-31-21-11-15(10-17(14-29)24(21)32-2)13-27-25(30)23-22(16-6-4-3-5-7-16)19-12-18(26)8-9-20(19)28-23/h3-12,28-29H,13-14H2,1-2H3,(H,27,30)
InChIKeyLGLZASCNVAYQNI-UHFFFAOYSA-N
XLogP4.41
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014382
5-fluoro-3-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014366
N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014528
tert-butyl N-[[(1R,2R,3R)-3-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)amino]methyl]-2-hydroxycyclopentyl]methyl]carbamate
CID 175625984
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958
N-[(2E)-2-ethenyl-4-(trifluoromethoxy)penta-2,4-dienyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 142237632
[4-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 126403341
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
4-(4-fluorophenyl)-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 9483235

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide (CID 58125938) is 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide is COc1cc(CNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc(CO)c1OC.
What is the InChIKey of 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is LGLZASCNVAYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-21-11-15(10-17(14-29)24(21)32-2)13-27-25(30)23-22(16-6-4-3-5-7-16)19-12-18(26)8-9-20(19)28-23/h3-12,28-29H,13-14H2,1-2H3,(H,27,30).
What are the key properties of 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide?
5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 58125938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).