N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide

C22H19FN2O3 — CID 87005885

IUPACN-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O3/c1-28-20-12-6-17(7-13-20)22(27)25-19-10-4-16(5-11-19)21(26)24-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyJKWWYPGFRDVVAP-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.02
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide

N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 87005885) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
PubChem CID87005885
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O3/c1-28-20-12-6-17(7-13-20)22(27)25-19-10-4-16(5-11-19)21(26)24-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyJKWWYPGFRDVVAP-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxamide
CID 22587908
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide (CID 87005885) is N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is JKWWYPGFRDVVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-28-20-12-6-17(7-13-20)22(27)25-19-10-4-16(5-11-19)21(26)24-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide?
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 378.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 87005885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).