2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide

C11H14F2N2O2 — CID 83177939

IUPAC2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C11H14F2N2O2/c1-6(2-3-16)15-11(17)7-4-8(12)9(13)5-10(7)14/h4-6,16H,2-3,14H2,1H3,(H,15,17)
InChIKeyLMKINPSXIXPQMK-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide

2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide (PubChem CID 83177939) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
PubChem CID83177939
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C11H14F2N2O2/c1-6(2-3-16)15-11(17)7-4-8(12)9(13)5-10(7)14/h4-6,16H,2-3,14H2,1H3,(H,15,17)
InChIKeyLMKINPSXIXPQMK-UHFFFAOYSA-N
XLogP1.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 94334111
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
2-amino-4,5-difluoro-N-pent-1-yn-3-ylbenzamide
CID 106223425
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83183642
5-amino-4-fluoro-2-nitro-N-pentan-2-ylbenzamide
CID 62152144
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
CID 114152397
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide (CID 83177939) is 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide is CC(CCO)NC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide?
The InChIKey is LMKINPSXIXPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(2-3-16)15-11(17)7-4-8(12)9(13)5-10(7)14/h4-6,16H,2-3,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide?
2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide has a molecular weight of 244.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 83177939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).