3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide

C24H20F2N2O — CID 167643591

IUPAC3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2c1CN=C2)C(=O)c1ccc(-c2cccc(F)c2)c(CF)c1
InChIInChI=1S/C24H20F2N2O/c1-28(15-19-6-2-5-18-13-27-14-23(18)19)24(29)17-8-9-22(20(10-17)12-25)16-4-3-7-21(26)11-16/h2-11,13H,12,14-15H2,1H3
InChIKeyPNDXMRXATATLIJ-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.17
Rot. Bonds5

About 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide

3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide (PubChem CID 167643591) has the molecular formula C24H20F2N2O and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide
PubChem CID167643591
Molecular FormulaC24H20F2N2O
Molecular Weight390.43 g/mol
Exact Mass390.15
IUPAC Name3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2c1CN=C2)C(=O)c1ccc(-c2cccc(F)c2)c(CF)c1
InChIInChI=1S/C24H20F2N2O/c1-28(15-19-6-2-5-18-13-27-14-23(18)19)24(29)17-8-9-22(20(10-17)12-25)16-4-3-7-21(26)11-16/h2-11,13H,12,14-15H2,1H3
InChIKeyPNDXMRXATATLIJ-UHFFFAOYSA-N
XLogP5.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide
CID 167538299
5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide
CID 167569990
3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[7-(hydroxymethyl)-3H-isoindol-4-yl]methyl]-N-methylbenzamide
CID 174089150
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-isoindole-4-carboxylic acid
CID 167668443
3-ethoxy-N-(3H-isoindol-4-ylmethyl)-N-methyl-4-(1,2-thiazol-5-yl)benzamide
CID 167701457
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylic acid
CID 167600153
methyl 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylate
CID 167619828
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrrolo[3,4-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide
CID 167681187
N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
CID 165385194
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385094

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide (CID 167643591) is 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide is CN(Cc1cccc2c1CN=C2)C(=O)c1ccc(-c2cccc(F)c2)c(CF)c1.
What is the InChIKey of 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide?
The InChIKey is PNDXMRXATATLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O/c1-28(15-19-6-2-5-18-13-27-14-23(18)19)24(29)17-8-9-22(20(10-17)12-25)16-4-3-7-21(26)11-16/h2-11,13H,12,14-15H2,1H3.
What are the key properties of 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide?
3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide has a molecular weight of 390.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 167643591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).