4-(4-bromophenyl)-3,4-dihydroxybutanamide

C10H12BrNO3 — CID 171900225

IUPAC4-(4-bromophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-7-3-1-6(2-4-7)10(15)8(13)5-9(12)14/h1-4,8,10,13,15H,5H2,(H2,12,14)
InChIKeyHLBQCULAAFAFMS-UHFFFAOYSA-N
MW274.11 g/mol
LogP0.72
Rot. Bonds4

About 4-(4-bromophenyl)-3,4-dihydroxybutanamide

4-(4-bromophenyl)-3,4-dihydroxybutanamide (PubChem CID 171900225) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-3,4-dihydroxybutanamide
PubChem CID171900225
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name4-(4-bromophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-7-3-1-6(2-4-7)10(15)8(13)5-9(12)14/h1-4,8,10,13,15H,5H2,(H2,12,14)
InChIKeyHLBQCULAAFAFMS-UHFFFAOYSA-N
XLogP0.72
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697
4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
CID 171899571
4-(3-bromo-5-fluorophenyl)-3,4-dihydroxybutanamide
CID 171900262
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
2-[4-(4-amino-1,2-dihydroxy-4-oxobutyl)phenoxy]acetic acid
CID 171899789
3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide
CID 171899706
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4-bromophenyl)-3,4-dihydroxybutanamide (CID 171900225) is 4-(4-bromophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4-bromophenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3,4-dihydroxybutanamide?
The InChIKey is HLBQCULAAFAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-7-3-1-6(2-4-7)10(15)8(13)5-9(12)14/h1-4,8,10,13,15H,5H2,(H2,12,14).
What are the key properties of 4-(4-bromophenyl)-3,4-dihydroxybutanamide?
4-(4-bromophenyl)-3,4-dihydroxybutanamide has a molecular weight of 274.11 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).