3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide

C25H25FN2O3 — CID 55909018

IUPAC3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2OC(C)C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H25FN2O3/c1-16(2)31-23-11-7-4-8-19(23)15-27-24(29)18-13-12-17(3)22(14-18)28-25(30)20-9-5-6-10-21(20)26/h4-14,16H,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyWGSGIKFBKSDLBV-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.10
Rot. Bonds7

About 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide

3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 55909018) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID55909018
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2OC(C)C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H25FN2O3/c1-16(2)31-23-11-7-4-8-19(23)15-27-24(29)18-13-12-17(3)22(14-18)28-25(30)20-9-5-6-10-21(20)26/h4-14,16H,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyWGSGIKFBKSDLBV-UHFFFAOYSA-N
XLogP5.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39294946
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 60591826
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55724377
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39707326
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55957887
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide
CID 60615050
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide (CID 55909018) is 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccccc2OC(C)C)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is WGSGIKFBKSDLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-16(2)31-23-11-7-4-8-19(23)15-27-24(29)18-13-12-17(3)22(14-18)28-25(30)20-9-5-6-10-21(20)26/h4-14,16H,15H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide?
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 55909018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).