N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide

C14H18FNO3 — CID 115176113

IUPACN-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
SMILESCOc1ccc(F)cc1C(C)(C)CNC(=O)C(C)=O
InChIInChI=1S/C14H18FNO3/c1-9(17)13(18)16-8-14(2,3)11-7-10(15)5-6-12(11)19-4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyIEGYWRIVRVPEOY-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide

N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide (PubChem CID 115176113) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
PubChem CID115176113
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC NameN-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
SMILESCOc1ccc(F)cc1C(C)(C)CNC(=O)C(C)=O
InChIInChI=1S/C14H18FNO3/c1-9(17)13(18)16-8-14(2,3)11-7-10(15)5-6-12(11)19-4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyIEGYWRIVRVPEOY-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
CID 142814279
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
N-[2-(2-methoxy-5-propan-2-ylphenyl)-2-methylpropyl]acetamide
CID 115191415
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176120
5-bromo-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-one
CID 69352095
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
methyl (3R)-5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 23584372
methyl 5-(5-fluoro-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate
CID 71210621
N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198929
N-(3,5-dimethoxyphenyl)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanamide
CID 11753938
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide?
The IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide (CID 115176113) is N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide?
The canonical SMILES for N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide is COc1ccc(F)cc1C(C)(C)CNC(=O)C(C)=O.
What is the InChIKey of N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide?
The InChIKey is IEGYWRIVRVPEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(17)13(18)16-8-14(2,3)11-7-10(15)5-6-12(11)19-4/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide?
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide has a molecular weight of 267.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide is sourced from PubChem (CID 115176113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).