N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide

C25H23FN2O4 — CID 53160371

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)cc1OC
InChIInChI=1S/C25H23FN2O4/c1-31-22-10-3-16(13-23(22)32-2)15-27-24(29)19-5-4-17-11-12-28(21(17)14-19)25(30)18-6-8-20(26)9-7-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,27,29)
InChIKeyQCRJKOVWCJMUGH-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.98
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide (PubChem CID 53160371) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
PubChem CID53160371
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)cc1OC
InChIInChI=1S/C25H23FN2O4/c1-31-22-10-3-16(13-23(22)32-2)15-27-24(29)19-5-4-17-11-12-28(21(17)14-19)25(30)18-6-8-20(26)9-7-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,27,29)
InChIKeyQCRJKOVWCJMUGH-UHFFFAOYSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099252
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 53160350
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092608
1-(4-fluorobenzoyl)-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160376
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide (CID 53160371) is N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)N(C(=O)c2ccc(F)cc2)CC3)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
The InChIKey is QCRJKOVWCJMUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-22-10-3-16(13-23(22)32-2)15-27-24(29)19-5-4-17-11-12-28(21(17)14-19)25(30)18-6-8-20(26)9-7-18/h3-10,13-14H,11-12,15H2,1-2H3,(H,27,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 53160371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).