3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide

C14H20F2N2O2 — CID 79773295

IUPAC3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
SMILESCOCCN(CC(C)C)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)8-18(6-7-20-3)14(19)12-10(15)4-5-11(17)13(12)16/h4-5,9H,6-8,17H2,1-3H3
InChIKeyZVYTYYCZYGCECF-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide

3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide (PubChem CID 79773295) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
PubChem CID79773295
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
SMILESCOCCN(CC(C)C)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)8-18(6-7-20-3)14(19)12-10(15)4-5-11(17)13(12)16/h4-5,9H,6-8,17H2,1-3H3
InChIKeyZVYTYYCZYGCECF-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 79773800
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
CID 61105794
3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
6-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 113323490
5-amino-N-(2-methoxyethyl)-2,4-dimethyl-N-(2-methylpropyl)benzamide
CID 102705195
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087
methyl 4-[2-methoxyethyl(2-methylpropyl)carbamoyl]benzoate
CID 134059038
methyl 2-[(3-amino-2,6-difluorobenzoyl)-methylamino]acetate
CID 79773010
6-amino-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62161041

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide (CID 79773295) is 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide is COCCN(CC(C)C)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
The InChIKey is ZVYTYYCZYGCECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-9(2)8-18(6-7-20-3)14(19)12-10(15)4-5-11(17)13(12)16/h4-5,9H,6-8,17H2,1-3H3.
What are the key properties of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide?
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide has a molecular weight of 286.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 79773295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).