4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide

C11H14ClNO3 — CID 171898698

IUPAC4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1ccc(Cl)cc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H14ClNO3/c1-6-2-3-7(12)4-8(6)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5H2,1H3,(H2,13,15)
InChIKeyIWPZZQBJZHKVFS-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.92
Rot. Bonds4

About 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide

4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide (PubChem CID 171898698) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
PubChem CID171898698
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
SMILESCc1ccc(Cl)cc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H14ClNO3/c1-6-2-3-7(12)4-8(6)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5H2,1H3,(H2,13,15)
InChIKeyIWPZZQBJZHKVFS-UHFFFAOYSA-N
XLogP0.92
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
CID 171900253
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(5-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899616
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide
CID 171899210
4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899617
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 130898767
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821957
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899222

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide (CID 171898698) is 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide is Cc1ccc(Cl)cc1C(O)C(O)CC(N)=O.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide?
The InChIKey is IWPZZQBJZHKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6-2-3-7(12)4-8(6)11(16)9(14)5-10(13)15/h2-4,9,11,14,16H,5H2,1H3,(H2,13,15).
What are the key properties of 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide?
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide has a molecular weight of 243.69 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).