2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide

C10H13FN2O2 — CID 96696408

IUPAC2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C10H13FN2O2/c1-6(14)5-13-10(15)7-3-2-4-8(11)9(7)12/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyRTTGSXORPIQHBC-ZCFIWIBFSA-N
MW212.22 g/mol
LogP0.52
Rot. Bonds3

About 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide

2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 96696408) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID96696408
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cccc(F)c1N
InChIInChI=1S/C10H13FN2O2/c1-6(14)5-13-10(15)7-3-2-4-8(11)9(7)12/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyRTTGSXORPIQHBC-ZCFIWIBFSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.52
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-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
2-amino-3-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182709

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide (CID 96696408) is 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is RTTGSXORPIQHBC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(14)5-13-10(15)7-3-2-4-8(11)9(7)12/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide?
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 212.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 96696408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).