3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide

C13H11Cl2NO3 — CID 110889301

IUPAC3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO3/c14-9-4-3-8(6-10(9)15)13(18)16-7-11(17)12-2-1-5-19-12/h1-6,11,17H,7H2,(H,16,18)
InChIKeyHUFJVDSIZBUTJL-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.05
Rot. Bonds4

About 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide

3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide (PubChem CID 110889301) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
PubChem CID110889301
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO3/c14-9-4-3-8(6-10(9)15)13(18)16-7-11(17)12-2-1-5-19-12/h1-6,11,17H,7H2,(H,16,18)
InChIKeyHUFJVDSIZBUTJL-UHFFFAOYSA-N
XLogP3.05
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041
1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
CID 86981112
4-[ethyl(methyl)amino]-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110908170
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
CID 78868922
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 86991422
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide (CID 110889301) is 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The InChIKey is HUFJVDSIZBUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c14-9-4-3-8(6-10(9)15)13(18)16-7-11(17)12-2-1-5-19-12/h1-6,11,17H,7H2,(H,16,18).
What are the key properties of 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide has a molecular weight of 300.14 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 110889301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).