2-(2,3-dihydroxypropylamino)-6-fluorobenzamide

C10H13FN2O3 — CID 168593553

IUPAC2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1NCC(O)CO
InChIInChI=1S/C10H13FN2O3/c11-7-2-1-3-8(9(7)10(12)16)13-4-6(15)5-14/h1-3,6,13-15H,4-5H2,(H2,12,16)
InChIKeyJIBHSSSXGAMMSG-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.31
Rot. Bonds5

About 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide

2-(2,3-dihydroxypropylamino)-6-fluorobenzamide (PubChem CID 168593553) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
PubChem CID168593553
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1NCC(O)CO
InChIInChI=1S/C10H13FN2O3/c11-7-2-1-3-8(9(7)10(12)16)13-4-6(15)5-14/h1-3,6,13-15H,4-5H2,(H2,12,16)
InChIKeyJIBHSSSXGAMMSG-UHFFFAOYSA-N
XLogP-0.31
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990
2-[(2-carbamoyl-3-fluoroanilino)methyl]butanoic acid
CID 79513210
2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
CID 79513291
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
5-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 104683255
2-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 79512716
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
5-chloro-2-(2,3-dihydroxypropylamino)benzamide
CID 168593745
ethyl 3-(2-carbamoyl-3-fluoroanilino)propanoate
CID 79512517
methyl 3-(2,3-dihydroxypropylamino)-6-fluoro-2-methylbenzoate
CID 168594543
CID 161042703
CID 161042703
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide (CID 168593553) is 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide is NC(=O)c1c(F)cccc1NCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide?
The InChIKey is JIBHSSSXGAMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-7-2-1-3-8(9(7)10(12)16)13-4-6(15)5-14/h1-3,6,13-15H,4-5H2,(H2,12,16).
What are the key properties of 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide?
2-(2,3-dihydroxypropylamino)-6-fluorobenzamide has a molecular weight of 228.22 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-6-fluorobenzamide is sourced from PubChem (CID 168593553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).