4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C11H14F2N2O2 — CID 104554287

IUPAC4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-6(5-16)15(2)11(17)7-3-8(12)10(14)9(13)4-7/h3-4,6,16H,5,14H2,1-2H3
InChIKeyIOMPTRUUGLDSLB-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.00
Rot. Bonds3

About 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 104554287) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID104554287
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-6(5-16)15(2)11(17)7-3-8(12)10(14)9(13)4-7/h3-4,6,16H,5,14H2,1-2H3
InChIKeyIOMPTRUUGLDSLB-UHFFFAOYSA-N
XLogP1.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-cyanopropan-2-yl)-3,5-difluoro-N-methylbenzamide
CID 55173776
3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104550883
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 63186164
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 109388608
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
3,4-dihydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 103956182
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 104554287) is 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is IOMPTRUUGLDSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(5-16)15(2)11(17)7-3-8(12)10(14)9(13)4-7/h3-4,6,16H,5,14H2,1-2H3.
What are the key properties of 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 244.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 104554287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).