5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide

C14H14BrNO3 — CID 110922851

IUPAC5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H14BrNO3/c1-9-8-12(15)19-13(9)14(18)16-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyOGDZTFFMHXNKDG-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.14
Rot. Bonds4

About 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide

5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide (PubChem CID 110922851) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
PubChem CID110922851
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H14BrNO3/c1-9-8-12(15)19-13(9)14(18)16-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyOGDZTFFMHXNKDG-UHFFFAOYSA-N
XLogP3.14
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 55775292
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide
CID 47242813
N-benzyl-5-bromo-3-methylfuran-2-carboxamide
CID 47242031
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide (CID 110922851) is 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is OGDZTFFMHXNKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-9-8-12(15)19-13(9)14(18)16-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide?
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 110922851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).