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

C25H23FN2O4 — CID 53160054

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C25H23FN2O4/c1-31-19-11-8-17(23(14-19)32-2)15-27-24(29)21-4-3-5-22-20(21)12-13-28(22)25(30)16-6-9-18(26)10-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,27,29)
InChIKeyBRZWEEJIWXPGAQ-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.98
Rot. Bonds6

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

N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 53160054) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
PubChem CID53160054
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C25H23FN2O4/c1-31-19-11-8-17(23(14-19)32-2)15-27-24(29)21-4-3-5-22-20(21)12-13-28(22)25(30)16-6-9-18(26)10-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,27,29)
InChIKeyBRZWEEJIWXPGAQ-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-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160055
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159946
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-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[[3-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]methyl]-4-fluorobenzamide
CID 23108705
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635603
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159994
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2S)-12-methoxy-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-4-yl]benzamide
CID 6571493
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide (CID 53160054) is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide is COc1ccc(CNC(=O)c2cccc3c2CCN3C(=O)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is BRZWEEJIWXPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-19-11-8-17(23(14-19)32-2)15-27-24(29)21-4-3-5-22-20(21)12-13-28(22)25(30)16-6-9-18(26)10-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,27,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide?
N-[(2,4-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-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53160054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).