N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide

C24H21FN2O3 — CID 53093773

IUPACN-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3/c1-30-22-5-3-2-4-20(22)23(28)26-15-16-6-11-21-18(14-16)12-13-27(21)24(29)17-7-9-19(25)10-8-17/h2-11,14H,12-13,15H2,1H3,(H,26,28)
InChIKeyPTDUHAKMRCDYOA-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.97
Rot. Bonds5

About N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide

N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide (PubChem CID 53093773) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
PubChem CID53093773
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC NameN-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3/c1-30-22-5-3-2-4-20(22)23(28)26-15-16-6-11-21-18(14-16)12-13-27(21)24(29)17-7-9-19(25)10-8-17/h2-11,14H,12-13,15H2,1H3,(H,26,28)
InChIKeyPTDUHAKMRCDYOA-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-methoxybenzamide
CID 53093708
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
CID 53160371
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092608
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-3,4-diethoxybenzamide
CID 53093713
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 53009052
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 53093738
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160055
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-fluorobenzamide
CID 53099088
2-ethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]butanamide
CID 53093637

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide (CID 53093773) is N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide?
The InChIKey is PTDUHAKMRCDYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-30-22-5-3-2-4-20(22)23(28)26-15-16-6-11-21-18(14-16)12-13-27(21)24(29)17-7-9-19(25)10-8-17/h2-11,14H,12-13,15H2,1H3,(H,26,28).
What are the key properties of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide?
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide has a molecular weight of 404.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 53093773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).