N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide

C15H19F2NO4 — CID 118264937

IUPACN-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide
SMILESCOCC1(CC(=O)NCc2ccc(F)cc2F)OCCCO1
InChIInChI=1S/C15H19F2NO4/c1-20-10-15(21-5-2-6-22-15)8-14(19)18-9-11-3-4-12(16)7-13(11)17/h3-4,7H,2,5-6,8-10H2,1H3,(H,18,19)
InChIKeyAHKKZUCCHQMDTL-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.75
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide

N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide (PubChem CID 118264937) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide
PubChem CID118264937
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide
SMILESCOCC1(CC(=O)NCc2ccc(F)cc2F)OCCCO1
InChIInChI=1S/C15H19F2NO4/c1-20-10-15(21-5-2-6-22-15)8-14(19)18-9-11-3-4-12(16)7-13(11)17/h3-4,7H,2,5-6,8-10H2,1H3,(H,18,19)
InChIKeyAHKKZUCCHQMDTL-UHFFFAOYSA-N
XLogP1.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
2-[2-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 176829467
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide (CID 118264937) is N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide is COCC1(CC(=O)NCc2ccc(F)cc2F)OCCCO1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide?
The InChIKey is AHKKZUCCHQMDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-20-10-15(21-5-2-6-22-15)8-14(19)18-9-11-3-4-12(16)7-13(11)17/h3-4,7H,2,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide?
N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide has a molecular weight of 315.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide is sourced from PubChem (CID 118264937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).