3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide

C10H12F2N2O2 — CID 79773787

IUPAC3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCCO)c1F
InChIInChI=1S/C10H12F2N2O2/c11-6-2-3-7(13)9(12)8(6)10(16)14-4-1-5-15/h2-3,15H,1,4-5,13H2,(H,14,16)
InChIKeyLJNFGMYRBOWERR-UHFFFAOYSA-N
MW230.21 g/mol
LogP0.66
Rot. Bonds4

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

3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide (PubChem CID 79773787) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
PubChem CID79773787
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(F)c(C(=O)NCCCO)c1F
InChIInChI=1S/C10H12F2N2O2/c11-6-2-3-7(13)9(12)8(6)10(16)14-4-1-5-15/h2-3,15H,1,4-5,13H2,(H,14,16)
InChIKeyLJNFGMYRBOWERR-UHFFFAOYSA-N
XLogP0.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide (CID 79773787) is 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide is Nc1ccc(F)c(C(=O)NCCCO)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide?
The InChIKey is LJNFGMYRBOWERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-6-2-3-7(13)9(12)8(6)10(16)14-4-1-5-15/h2-3,15H,1,4-5,13H2,(H,14,16).
What are the key properties of 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide?
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide has a molecular weight of 230.21 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 79773787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).