N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide

C23H24FNO4 — CID 54267361

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C(C)=O)C2=C(Oc3ccccc3)CCC(F)=C2)c1
InChIInChI=1S/C23H24FNO4/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/h4-8,10,12-14H,9,11,15H2,1-3H3
InChIKeyRHRUJFGGHPJNHZ-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.99
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 54267361) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide
PubChem CID54267361
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C(C)=O)C2=C(Oc3ccccc3)CCC(F)=C2)c1
InChIInChI=1S/C23H24FNO4/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/h4-8,10,12-14H,9,11,15H2,1-3H3
InChIKeyRHRUJFGGHPJNHZ-UHFFFAOYSA-N
XLogP4.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 71470709
N-[[2-(fluoromethyl)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 22556111
N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 59765851
N-[(2,5-dimethoxyphenyl)methyl]-N-[2-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 139823912
N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 122591164
N-[3-[2-[(N-acetyl-5-fluoro-2-phenoxyanilino)methyl]-4-methoxyanilino]-2,3-dimethylbutan-2-yl]acetamide
CID 71049772
N-[(2,5-dimethoxyphenyl)methyl]-N-[6-fluoro-2-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 91562091
N-[(2,5-dimethoxyphenyl)methyl]-N-[6-(18F)fluoro-2-(4-iodophenoxy)-3-pyridinyl]acetamide
CID 58390523
N-(5-chloro-2-phenylmethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 143430294
N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide
CID 24785289
N-[6-bromo-2-(4-chlorophenoxy)-3-pyridinyl]-N-[(2-methoxyphenyl)methyl]acetamide;N-[6-bromo-2-(4-fluorophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide;N-[6-bromo-2-(4-iodophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide;N-(6-bromo-2-phenoxy-3-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 160699740
N-[[2-(3-aminobut-3-enylamino)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 67746702

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide (CID 54267361) is N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide is COc1ccc(OC)c(CN(C(C)=O)C2=C(Oc3ccccc3)CCC(F)=C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is RHRUJFGGHPJNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/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/h4-8,10,12-14H,9,11,15H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 397.45 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 54267361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).