3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide

C12H16F2N2O3 — CID 106164172

IUPAC3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C12H16F2N2O3/c1-2-19-10-8(4-3-5-9(10)15)11(18)16-6-12(13,14)7-17/h3-5,17H,2,6-7,15H2,1H3,(H,16,18)
InChIKeyVMTZQPYSGHZYLW-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.02
Rot. Bonds6

About 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide

3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide (PubChem CID 106164172) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
PubChem CID106164172
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
SMILESCCOc1c(N)cccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C12H16F2N2O3/c1-2-19-10-8(4-3-5-9(10)15)11(18)16-6-12(13,14)7-17/h3-5,17H,2,6-7,15H2,1H3,(H,16,18)
InChIKeyVMTZQPYSGHZYLW-UHFFFAOYSA-N
XLogP1.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104616592
3-amino-2-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758296

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
The IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide (CID 106164172) is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide is CCOc1c(N)cccc1C(=O)NCC(F)(F)CO.
What is the InChIKey of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
The InChIKey is VMTZQPYSGHZYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-2-19-10-8(4-3-5-9(10)15)11(18)16-6-12(13,14)7-17/h3-5,17H,2,6-7,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide?
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide has a molecular weight of 274.27 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide is sourced from PubChem (CID 106164172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).