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

C25H23FN2O4 — CID 53160055

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C25H23FN2O4/c1-31-22-8-3-5-17(23(22)32-2)15-27-24(29)20-6-4-7-21-19(20)13-14-28(21)25(30)16-9-11-18(26)12-10-16/h3-12H,13-15H2,1-2H3,(H,27,29)
InChIKeyBBIZNRXBZMWCDP-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.98
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 53160055) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
PubChem CID53160055
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c1OC
InChIInChI=1S/C25H23FN2O4/c1-31-22-8-3-5-17(23(22)32-2)15-27-24(29)20-6-4-7-21-19(20)13-14-28(21)25(30)16-9-11-18(26)12-10-16/h3-12H,13-15H2,1-2H3,(H,27,29)
InChIKeyBBIZNRXBZMWCDP-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-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054
1-(4-fluorobenzoyl)-N-methyl-2,3-dihydroindole-4-carboxamide
CID 53160037
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159946
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451794
N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200156
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55583046
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
CID 53160371

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide (CID 53160055) is N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide is COc1cccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is BBIZNRXBZMWCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-22-8-3-5-17(23(22)32-2)15-27-24(29)20-6-4-7-21-19(20)13-14-28(21)25(30)16-9-11-18(26)12-10-16/h3-12H,13-15H2,1-2H3,(H,27,29).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-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-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53160055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).