N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide

C12H16FNO4 — CID 65434019

IUPACN-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(OC)OC
InChIInChI=1S/C12H16FNO4/c1-16-9-6-4-5-8(13)11(9)12(15)14-7-10(17-2)18-3/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKeyQIZFCQUSPFBUKK-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.18
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide

N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide (PubChem CID 65434019) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
PubChem CID65434019
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(OC)OC
InChIInChI=1S/C12H16FNO4/c1-16-9-6-4-5-8(13)11(9)12(15)14-7-10(17-2)18-3/h4-6,10H,7H2,1-3H3,(H,14,15)
InChIKeyQIZFCQUSPFBUKK-UHFFFAOYSA-N
XLogP1.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide (CID 65434019) is N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is QIZFCQUSPFBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-16-9-6-4-5-8(13)11(9)12(15)14-7-10(17-2)18-3/h4-6,10H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide?
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 257.26 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65434019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).