3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide

C10H9F2NO4 — CID 171868515

IUPAC3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(F)c(C=O)c1F
InChIInChI=1S/C10H9F2NO4/c11-6-2-1-4(7(12)5(6)3-14)8(15)9(16)10(13)17/h1-3,8-9,15-16H,(H2,13,17)
InChIKeyNHTRNZPDDPDHQF-UHFFFAOYSA-N
MW245.18 g/mol
LogP-0.34
Rot. Bonds4

About 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide

3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868515) has the molecular formula C10H9F2NO4 and a molecular weight of 245.18 g/mol. Its IUPAC name is 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
PubChem CID171868515
Molecular FormulaC10H9F2NO4
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(F)c(C=O)c1F
InChIInChI=1S/C10H9F2NO4/c11-6-2-1-4(7(12)5(6)3-14)8(15)9(16)10(13)17/h1-3,8-9,15-16H,(H2,13,17)
InChIKeyNHTRNZPDDPDHQF-UHFFFAOYSA-N
XLogP-0.34
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-1,2-dihydroxybutyl)-2,6-difluorobenzaldehyde
CID 171894152
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171868435
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide
CID 171868077
3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
CID 171868242
3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868874
2,6-difluoro-3-methylbenzaldehyde
CID 2774137

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide (CID 171868515) is 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc(F)c(C=O)c1F.
What is the InChIKey of 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide?
The InChIKey is NHTRNZPDDPDHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4/c11-6-2-1-4(7(12)5(6)3-14)8(15)9(16)10(13)17/h1-3,8-9,15-16H,(H2,13,17).
What are the key properties of 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide?
3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide has a molecular weight of 245.18 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).