N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide

C29H26FNO4 — CID 59765851

IUPACN-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OCc2ccccc2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C29H26FNO4/c1-21(32)31(27-18-24(30)13-15-29(27)35-25-11-7-4-8-12-25)19-23-17-26(33-2)14-16-28(23)34-20-22-9-5-3-6-10-22/h3-18H,19-20H2,1-2H3
InChIKeyAOAFYUUCGXWHDK-UHFFFAOYSA-N
MW471.53 g/mol
LogP6.76
Rot. Bonds9

About N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide

N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 59765851) has the molecular formula C29H26FNO4 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
PubChem CID59765851
Molecular FormulaC29H26FNO4
Molecular Weight471.53 g/mol
Exact Mass471.18
IUPAC NameN-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(OCc2ccccc2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C29H26FNO4/c1-21(32)31(27-18-24(30)13-15-29(27)35-25-11-7-4-8-12-25)19-23-17-26(33-2)14-16-28(23)34-20-22-9-5-3-6-10-22/h3-18H,19-20H2,1-2H3
InChIKeyAOAFYUUCGXWHDK-UHFFFAOYSA-N
XLogP6.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(fluoromethyl)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 22556111
N-(5-fluoro-2-phenoxyphenyl)-N-[[5-methoxy-2-[2-(1-methoxycyclohexyl)oxyethoxy]phenyl]methyl]acetamide
CID 24785289
N-[(2,5-dimethoxyphenyl)methyl]-N-[2-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 139823912
N-[3-[2-[(N-acetyl-5-fluoro-2-phenoxyanilino)methyl]-4-methoxyanilino]-2,3-dimethylbutan-2-yl]acetamide
CID 71049772
N-[[2-(3-aminobut-3-enylamino)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 67746702
N-(5-amino-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 71470709
N-(5-chloro-2-phenylmethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 143430294
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-fluorophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-[2-(4-iodophenoxy)-3-pyridinyl]acetamide;N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 159302896
N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 122591164
N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide
CID 54267361
N-[(4-methoxyphenyl)methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 75412382
N-[2-(2-fluorophenoxy)-3-pyridinyl]-N-[[2-(furan-2-ylmethoxy)-5-methoxyphenyl]methyl]acetamide
CID 91567062

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide (CID 59765851) is N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide is COc1ccc(OCc2ccccc2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is AOAFYUUCGXWHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FNO4/c1-21(32)31(27-18-24(30)13-15-29(27)35-25-11-7-4-8-12-25)19-23-17-26(33-2)14-16-28(23)34-20-22-9-5-3-6-10-22/h3-18H,19-20H2,1-2H3.
What are the key properties of N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide?
N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 471.53 g/mol, XLogP of 6.76, 9 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-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 59765851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).