N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide

C9H9ClFNO2 — CID 115138756

IUPACN-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClFNO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyDTHZQKLZUWFJFE-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.80
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide

N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide (PubChem CID 115138756) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
PubChem CID115138756
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClFNO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyDTHZQKLZUWFJFE-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79199616
N-(2,5-difluorophenyl)-3-hydroxypropanamide
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N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
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N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
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N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
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2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
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CID 110007033

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide (CID 115138756) is N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide is O=C(CCO)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide?
The InChIKey is DTHZQKLZUWFJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide?
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide has a molecular weight of 217.63 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 115138756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).