4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide

C25H26FN3O3 — CID 55819022

IUPAC4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCCOc1ccc(CN(C)C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C25H26FN3O3/c1-3-32-22-14-8-18(9-15-22)17-29(2)25(31)28-21-12-10-19(11-13-21)24(30)27-16-20-6-4-5-7-23(20)26/h4-15H,3,16-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyANWPLNSIYQTBGY-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.82
Rot. Bonds8

About 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide

4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 55819022) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID55819022
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
SMILESCCOc1ccc(CN(C)C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1
InChIInChI=1S/C25H26FN3O3/c1-3-32-22-14-8-18(9-15-22)17-29(2)25(31)28-21-12-10-19(11-13-21)24(30)27-16-20-6-4-5-7-23(20)26/h4-15H,3,16-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyANWPLNSIYQTBGY-UHFFFAOYSA-N
XLogP4.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574553
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
4-[(4-ethoxyphenoxy)methyl]-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
CID 8502972
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide (CID 55819022) is 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide is CCOc1ccc(CN(C)C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1.
What is the InChIKey of 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is ANWPLNSIYQTBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-3-32-22-14-8-18(9-15-22)17-29(2)25(31)28-21-12-10-19(11-13-21)24(30)27-16-20-6-4-5-7-23(20)26/h4-15H,3,16-17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide?
4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 435.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 55819022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).