N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide

C23H22FNO4 — CID 5458184

IUPACN-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(O[11CH3])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/i3-1
InChIKeyDCRZYADKQRHHSF-KTXUZGJCSA-N
MW394.43 g/mol
LogP5.19
Rot. Bonds7

About N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide

N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide (PubChem CID 5458184) has the molecular formula C23H22FNO4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide
PubChem CID5458184
Molecular FormulaC23H22FNO4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(O[11CH3])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/i3-1
InChIKeyDCRZYADKQRHHSF-KTXUZGJCSA-N
XLogP5.19
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide?
The IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide (CID 5458184) is N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide is COc1ccc(O[11CH3])c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide?
The InChIKey is DCRZYADKQRHHSF-KTXUZGJCSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3/i3-1.
What are the key properties of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide?
N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-(111C)methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 5458184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).