4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide

C24H21FN2O2 — CID 167538299

IUPAC4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc3c2CN=C3)ccc1-c1ccccc1F
InChIInChI=1S/C24H21FN2O2/c1-27(15-18-7-5-6-17-13-26-14-21(17)18)24(28)16-10-11-20(23(12-16)29-2)19-8-3-4-9-22(19)25/h3-13H,14-15H2,1-2H3
InChIKeyAVLWGBRGHAZLDD-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.71
Rot. Bonds5

About 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide

4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide (PubChem CID 167538299) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide
PubChem CID167538299
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc3c2CN=C3)ccc1-c1ccccc1F
InChIInChI=1S/C24H21FN2O2/c1-27(15-18-7-5-6-17-13-26-14-21(17)18)24(28)16-10-11-20(23(12-16)29-2)19-8-3-4-9-22(19)25/h3-13H,14-15H2,1-2H3
InChIKeyAVLWGBRGHAZLDD-UHFFFAOYSA-N
XLogP4.71
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide
CID 167643591
3-ethoxy-N-(3H-isoindol-4-ylmethyl)-N-methyl-4-(1,2-thiazol-5-yl)benzamide
CID 167701457
5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide
CID 167569990
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
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
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
methyl 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylate
CID 167619828
3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrrolo[3,4-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide
CID 167681187
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide
CID 167549405
3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 51195778

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide (CID 167538299) is 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2cccc3c2CN=C3)ccc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide?
The InChIKey is AVLWGBRGHAZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-27(15-18-7-5-6-17-13-26-14-21(17)18)24(28)16-10-11-20(23(12-16)29-2)19-8-3-4-9-22(19)25/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide?
4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide has a molecular weight of 388.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 167538299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).