3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

C9H10ClNO4 — CID 171867764

IUPAC3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Cl)ccc1O
InChIInChI=1S/C9H10ClNO4/c10-4-1-2-6(12)5(3-4)7(13)8(14)9(11)15/h1-3,7-8,12-14H,(H2,11,15)
InChIKeyFHNLOFVKDCGVHC-UHFFFAOYSA-N
MW231.64 g/mol
LogP-0.07
Rot. Bonds3

About 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171867764) has the molecular formula C9H10ClNO4 and a molecular weight of 231.64 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171867764
Molecular FormulaC9H10ClNO4
Molecular Weight231.64 g/mol
Exact Mass231.03
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Cl)ccc1O
InChIInChI=1S/C9H10ClNO4/c10-4-1-2-6(12)5(3-4)7(13)8(14)9(11)15/h1-3,7-8,12-14H,(H2,11,15)
InChIKeyFHNLOFVKDCGVHC-UHFFFAOYSA-N
XLogP-0.07
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
CID 171868523
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171869831
3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
CID 171868242
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
CID 91013936
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-chlorobenzoic acid
CID 171868426
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea
CID 146661586
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
CID 171867560
2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 171868027

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (CID 171867764) is 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is FHNLOFVKDCGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c10-4-1-2-6(12)5(3-4)7(13)8(14)9(11)15/h1-3,7-8,12-14H,(H2,11,15).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 231.64 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).