4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide

C10H11BrClNO3 — CID 171900253

IUPAC4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H11BrClNO3/c11-7-3-5(12)1-2-6(7)10(16)8(14)4-9(13)15/h1-3,8,10,14,16H,4H2,(H2,13,15)
InChIKeyPOPRAWGPDRTMJX-UHFFFAOYSA-N
MW308.56 g/mol
LogP1.37
Rot. Bonds4

About 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide

4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide (PubChem CID 171900253) has the molecular formula C10H11BrClNO3 and a molecular weight of 308.56 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
PubChem CID171900253
Molecular FormulaC10H11BrClNO3
Molecular Weight308.56 g/mol
Exact Mass306.96
IUPAC Name4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H11BrClNO3/c11-7-3-5(12)1-2-6(7)10(16)8(14)4-9(13)15/h1-3,8,10,14,16H,4H2,(H2,13,15)
InChIKeyPOPRAWGPDRTMJX-UHFFFAOYSA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanoate
CID 171896669
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-3-bromobenzoic acid
CID 171900309
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide
CID 171899210
4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899617
4-(5-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899616
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
diethyl 2-(2-bromo-4-chlorophenyl)propanedioate
CID 177019430
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878756
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide (CID 171900253) is 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(Cl)cc1Br.
What is the InChIKey of 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide?
The InChIKey is POPRAWGPDRTMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3/c11-7-3-5(12)1-2-6(7)10(16)8(14)4-9(13)15/h1-3,8,10,14,16H,4H2,(H2,13,15).
What are the key properties of 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide?
4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide has a molecular weight of 308.56 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).