N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide

C17H18FNO4 — CID 56782949

IUPACN-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide
SMILESCOc1cc(F)c(NC(=O)C(OC)c2ccccc2)cc1OC
InChIInChI=1S/C17H18FNO4/c1-21-14-9-12(18)13(10-15(14)22-2)19-17(20)16(23-3)11-7-5-4-6-8-11/h4-10,16H,1-3H3,(H,19,20)
InChIKeyOZMOILLJNQGZRJ-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.17
Rot. Bonds6

About N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide

N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide (PubChem CID 56782949) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide
PubChem CID56782949
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide
SMILESCOc1cc(F)c(NC(=O)C(OC)c2ccccc2)cc1OC
InChIInChI=1S/C17H18FNO4/c1-21-14-9-12(18)13(10-15(14)22-2)19-17(20)16(23-3)11-7-5-4-6-8-11/h4-10,16H,1-3H3,(H,19,20)
InChIKeyOZMOILLJNQGZRJ-UHFFFAOYSA-N
XLogP3.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956612
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
N-(2,6-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2955946
N-(3,4-difluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956436
(2S)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279
N-(2-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099409
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(2-acetamido-5-methylphenyl)-2-methoxy-2-phenylacetamide
CID 75475764
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
3-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 122079674
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide (CID 56782949) is N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide is COc1cc(F)c(NC(=O)C(OC)c2ccccc2)cc1OC.
What is the InChIKey of N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide?
The InChIKey is OZMOILLJNQGZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-14-9-12(18)13(10-15(14)22-2)19-17(20)16(23-3)11-7-5-4-6-8-11/h4-10,16H,1-3H3,(H,19,20).
What are the key properties of N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide?
N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide has a molecular weight of 319.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,5-dimethoxyphenyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 56782949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).