4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide

C23H21FN2O3 — CID 155510663

IUPAC4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-25(2)22(28)17-5-11-20(12-6-17)26(15-16-3-9-19(24)10-4-16)23(29)18-7-13-21(27)14-8-18/h3-14,27H,15H2,1-2H3
InChIKeyYWAFKNHDMNEFPA-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.08
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide

4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide (PubChem CID 155510663) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide
PubChem CID155510663
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-25(2)22(28)17-5-11-20(12-6-17)26(15-16-3-9-19(24)10-4-16)23(29)18-7-13-21(27)14-8-18/h3-14,27H,15H2,1-2H3
InChIKeyYWAFKNHDMNEFPA-UHFFFAOYSA-N
XLogP4.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide (CID 155510663) is 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is YWAFKNHDMNEFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-25(2)22(28)17-5-11-20(12-6-17)26(15-16-3-9-19(24)10-4-16)23(29)18-7-13-21(27)14-8-18/h3-14,27H,15H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide?
4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 392.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl-(4-hydroxybenzoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 155510663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).