4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide

C24H22F2N2O — CID 24945881

IUPAC4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(F)c(CNC2Cc3ccccc3C2)cc1F
InChIInChI=1S/C24H22F2N2O/c1-14-8-17(24(27)29)6-7-20(14)21-12-22(25)18(11-23(21)26)13-28-19-9-15-4-2-3-5-16(15)10-19/h2-8,11-12,19,28H,9-10,13H2,1H3,(H2,27,29)
InChIKeyNVVXIRZHNWCHJC-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.30
Rot. Bonds5

About 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide

4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide (PubChem CID 24945881) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide
PubChem CID24945881
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1-c1cc(F)c(CNC2Cc3ccccc3C2)cc1F
InChIInChI=1S/C24H22F2N2O/c1-14-8-17(24(27)29)6-7-20(14)21-12-22(25)18(11-23(21)26)13-28-19-9-15-4-2-3-5-16(15)10-19/h2-8,11-12,19,28H,9-10,13H2,1H3,(H2,27,29)
InChIKeyNVVXIRZHNWCHJC-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 24945882
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
CID 58276465
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68603662
1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 53323805
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
CID 114480489
2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 59316490
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 63043343
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118
4-[3-chloro-5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]benzamide
CID 58276377

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide?
The IUPAC name of 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide (CID 24945881) is 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide.
What is the SMILES notation for 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide?
The canonical SMILES for 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1-c1cc(F)c(CNC2Cc3ccccc3C2)cc1F.
What is the InChIKey of 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide?
The InChIKey is NVVXIRZHNWCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O/c1-14-8-17(24(27)29)6-7-20(14)21-12-22(25)18(11-23(21)26)13-28-19-9-15-4-2-3-5-16(15)10-19/h2-8,11-12,19,28H,9-10,13H2,1H3,(H2,27,29).
What are the key properties of 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide?
4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide is sourced from PubChem (CID 24945881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).