5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide

C10H11ClFNO3 — CID 66175370

IUPAC5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
SMILESO=C(NCC(O)CO)c1cc(Cl)ccc1F
InChIInChI=1S/C10H11ClFNO3/c11-6-1-2-9(12)8(3-6)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeyCTAHAWPGODQEFW-UHFFFAOYSA-N
MW247.65 g/mol
LogP0.56
Rot. Bonds4

About 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide

5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide (PubChem CID 66175370) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
PubChem CID66175370
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
SMILESO=C(NCC(O)CO)c1cc(Cl)ccc1F
InChIInChI=1S/C10H11ClFNO3/c11-6-1-2-9(12)8(3-6)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeyCTAHAWPGODQEFW-UHFFFAOYSA-N
XLogP0.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217744
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide (CID 66175370) is 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide is O=C(NCC(O)CO)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
The InChIKey is CTAHAWPGODQEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c11-6-1-2-9(12)8(3-6)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16).
What are the key properties of 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide?
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide has a molecular weight of 247.65 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide is sourced from PubChem (CID 66175370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).