[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate

C18H17F2NO4 — CID 3781512

IUPAC[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate
SMILESCOc1ccc(CNC(=O)C(OC(C)=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H17F2NO4/c1-11(22)25-17(16-14(19)4-3-5-15(16)20)18(23)21-10-12-6-8-13(24-2)9-7-12/h3-9,17H,10H2,1-2H3,(H,21,23)
InChIKeySMXRUROVNPMIOW-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.89
Rot. Bonds6

About [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate

[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate (PubChem CID 3781512) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate
PubChem CID3781512
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate
SMILESCOc1ccc(CNC(=O)C(OC(C)=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H17F2NO4/c1-11(22)25-17(16-14(19)4-3-5-15(16)20)18(23)21-10-12-6-8-13(24-2)9-7-12/h3-9,17H,10H2,1-2H3,(H,21,23)
InChIKeySMXRUROVNPMIOW-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate
CID 40880339
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-[(4-methoxyphenyl)methyl]-2-phenoxy-2-phenylacetamide
CID 46484867
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661449
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8639404
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate?
The IUPAC name of [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate (CID 3781512) is [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate.
What is the SMILES notation for [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate?
The canonical SMILES for [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate is COc1ccc(CNC(=O)C(OC(C)=O)c2c(F)cccc2F)cc1.
What is the InChIKey of [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate?
The InChIKey is SMXRUROVNPMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4/c1-11(22)25-17(16-14(19)4-3-5-15(16)20)18(23)21-10-12-6-8-13(24-2)9-7-12/h3-9,17H,10H2,1-2H3,(H,21,23).
What are the key properties of [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate?
[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate has a molecular weight of 349.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate is sourced from PubChem (CID 3781512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).