4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide

C11H14BrNO4 — CID 103957673

IUPAC4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Br)c(O)c1)N(CCO)CCO
InChIInChI=1S/C11H14BrNO4/c12-9-2-1-8(7-10(9)16)11(17)13(3-5-14)4-6-15/h1-2,7,14-16H,3-6H2
InChIKeyHQZOEAWECMKRHC-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.58
Rot. Bonds5

About 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide

4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 103957673) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID103957673
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Br)c(O)c1)N(CCO)CCO
InChIInChI=1S/C11H14BrNO4/c12-9-2-1-8(7-10(9)16)11(17)13(3-5-14)4-6-15/h1-2,7,14-16H,3-6H2
InChIKeyHQZOEAWECMKRHC-UHFFFAOYSA-N
XLogP0.58
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
CID 94810814
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
4-bromo-3-hydroxy-N-(4-hydroxybutyl)benzamide
CID 107168307
4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
CID 62160495

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide (CID 103957673) is 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide is O=C(c1ccc(Br)c(O)c1)N(CCO)CCO.
What is the InChIKey of 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is HQZOEAWECMKRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c12-9-2-1-8(7-10(9)16)11(17)13(3-5-14)4-6-15/h1-2,7,14-16H,3-6H2.
What are the key properties of 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 304.14 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 103957673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).