N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide

C16H14F2N2O3 — CID 33307531

IUPACN-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1NC(C)=O
InChIInChI=1S/C16H14F2N2O3/c1-9(21)19-14-8-11(4-6-15(14)23-2)20-16(22)12-5-3-10(17)7-13(12)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZWJAOQNOYBULRF-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.18
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide

N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide (PubChem CID 33307531) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
PubChem CID33307531
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1NC(C)=O
InChIInChI=1S/C16H14F2N2O3/c1-9(21)19-14-8-11(4-6-15(14)23-2)20-16(22)12-5-3-10(17)7-13(12)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZWJAOQNOYBULRF-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 35348384
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide (CID 33307531) is N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide is COc1ccc(NC(=O)c2ccc(F)cc2F)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide?
The InChIKey is ZWJAOQNOYBULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-9(21)19-14-8-11(4-6-15(14)23-2)20-16(22)12-5-3-10(17)7-13(12)18/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide?
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide has a molecular weight of 320.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 33307531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).