N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

C24H21FN2O4 — CID 55687960

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2COc3ccccc3O2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H21FN2O4/c1-15-10-11-16(12-20(15)27-24(29)18-6-2-3-7-19(18)25)23(28)26-13-17-14-30-21-8-4-5-9-22(21)31-17/h2-12,17H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyCAMYPQPRDDQJQS-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.96
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (PubChem CID 55687960) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
PubChem CID55687960
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2COc3ccccc3O2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H21FN2O4/c1-15-10-11-16(12-20(15)27-24(29)18-6-2-3-7-19(18)25)23(28)26-13-17-14-30-21-8-4-5-9-22(21)31-17/h2-12,17H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyCAMYPQPRDDQJQS-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluoro-4-methylbenzamide
CID 17459252
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51166808
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 133250814
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluorobenzamide
CID 51230523
2-chloro-N-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]benzamide
CID 2197223
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (CID 55687960) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is Cc1ccc(C(=O)NCC2COc3ccccc3O2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The InChIKey is CAMYPQPRDDQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-15-10-11-16(12-20(15)27-24(29)18-6-2-3-7-19(18)25)23(28)26-13-17-14-30-21-8-4-5-9-22(21)31-17/h2-12,17H,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide has a molecular weight of 420.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 55687960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).