N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide

C18H18FNO5 — CID 11233297

IUPACN-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1cc(NC(=O)c2ccc(OC)c(F)c2)c(C(C)=O)c(OC)c1
InChIInChI=1S/C18H18FNO5/c1-10(21)17-14(8-12(23-2)9-16(17)25-4)20-18(22)11-5-6-15(24-3)13(19)7-11/h5-9H,1-4H3,(H,20,22)
InChIKeyMNAYGNPIGBNVBV-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.31
Rot. Bonds6

About N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide

N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide (PubChem CID 11233297) has the molecular formula C18H18FNO5 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide
PubChem CID11233297
Molecular FormulaC18H18FNO5
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1cc(NC(=O)c2ccc(OC)c(F)c2)c(C(C)=O)c(OC)c1
InChIInChI=1S/C18H18FNO5/c1-10(21)17-14(8-12(23-2)9-16(17)25-4)20-18(22)11-5-6-15(24-3)13(19)7-11/h5-9H,1-4H3,(H,20,22)
InChIKeyMNAYGNPIGBNVBV-UHFFFAOYSA-N
XLogP3.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
CID 62919051
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157110
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]-4-methylbenzoate
CID 100612781

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide (CID 11233297) is N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide is COc1cc(NC(=O)c2ccc(OC)c(F)c2)c(C(C)=O)c(OC)c1.
What is the InChIKey of N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is MNAYGNPIGBNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5/c1-10(21)17-14(8-12(23-2)9-16(17)25-4)20-18(22)11-5-6-15(24-3)13(19)7-11/h5-9H,1-4H3,(H,20,22).
What are the key properties of N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide?
N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 347.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-3,5-dimethoxyphenyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 11233297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).