N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

C23H21FN2O3 — CID 39707326

IUPACN-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1
InChIInChI=1S/C23H21FN2O3/c1-3-29-18-12-10-17(11-13-18)25-22(27)16-9-8-15(2)21(14-16)26-23(28)19-6-4-5-7-20(19)24/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHYKAZJALUQJPCU-UHFFFAOYSA-N
MW392.43 g/mol
LogP5.04
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide

N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (PubChem CID 39707326) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
PubChem CID39707326
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1
InChIInChI=1S/C23H21FN2O3/c1-3-29-18-12-10-17(11-13-18)25-22(27)16-9-8-15(2)21(14-16)26-23(28)19-6-4-5-7-20(19)24/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHYKAZJALUQJPCU-UHFFFAOYSA-N
XLogP5.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.43
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
N-[[2-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 4941693
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide (CID 39707326) is N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is CCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
The InChIKey is HYKAZJALUQJPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-3-29-18-12-10-17(11-13-18)25-22(27)16-9-8-15(2)21(14-16)26-23(28)19-6-4-5-7-20(19)24/h4-14H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide?
N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide has a molecular weight of 392.43 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 39707326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).