5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide

C13H18F2N2O3 — CID 61095461

IUPAC5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-19-5-3-17(4-6-20-2)13(18)9-7-12(16)11(15)8-10(9)14/h7-8H,3-6,16H2,1-2H3
InChIKeyXJKDWFVQIHPNDX-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.28
Rot. Bonds7

About 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide

5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 61095461) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
PubChem CID61095461
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-19-5-3-17(4-6-20-2)13(18)9-7-12(16)11(15)8-10(9)14/h7-8H,3-6,16H2,1-2H3
InChIKeyXJKDWFVQIHPNDX-UHFFFAOYSA-N
XLogP1.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
4-methoxybutyl 5-amino-2,4-difluorobenzoate
CID 113437092
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
N-(3-amino-3-sulfanylidenepropyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63287621
N-(3-amino-3-sulfanylidenepropyl)-2,4-difluoro-N-(2-methoxyethyl)benzamide
CID 63287156
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
2-[(4-chloro-2,5-difluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 82782990
N-(3-amino-3-sulfanylidenepropyl)-2-fluoro-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 107676080

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide (CID 61095461) is 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is XJKDWFVQIHPNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-19-5-3-17(4-6-20-2)13(18)9-7-12(16)11(15)8-10(9)14/h7-8H,3-6,16H2,1-2H3.
What are the key properties of 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide?
5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 288.29 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 61095461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).