N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide

C23H21FN2O3 — CID 24553132

IUPACN-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-16-2-6-18(7-3-16)23(28)26-15-22(27)25-14-17-4-10-20(11-5-17)29-21-12-8-19(24)9-13-21/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyWXSDOOWMAHCPRO-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.97
Rot. Bonds7

About N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide

N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 24553132) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
PubChem CID24553132
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-16-2-6-18(7-3-16)23(28)26-15-22(27)25-14-17-4-10-20(11-5-17)29-21-12-8-19(24)9-13-21/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyWXSDOOWMAHCPRO-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 52670386
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 52758428

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide (CID 24553132) is N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is WXSDOOWMAHCPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-16-2-6-18(7-3-16)23(28)26-15-22(27)25-14-17-4-10-20(11-5-17)29-21-12-8-19(24)9-13-21/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 392.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 24553132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).