N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide

C10H12FNO2 — CID 115139087

IUPACN-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccccc1F
InChIInChI=1S/C10H12FNO2/c11-9-4-2-1-3-8(9)7-12-10(14)5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyQJNPSGGPWRBJHP-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.82
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide

N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide (PubChem CID 115139087) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
PubChem CID115139087
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC NameN-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1ccccc1F
InChIInChI=1S/C10H12FNO2/c11-9-4-2-1-3-8(9)7-12-10(14)5-6-13/h1-4,13H,5-7H2,(H,12,14)
InChIKeyQJNPSGGPWRBJHP-UHFFFAOYSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
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3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
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N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
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N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
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N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
CID 17420018
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
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N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide (CID 115139087) is N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide is O=C(CCO)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
The InChIKey is QJNPSGGPWRBJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-4-2-1-3-8(9)7-12-10(14)5-6-13/h1-4,13H,5-7H2,(H,12,14).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide has a molecular weight of 197.21 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 115139087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).