4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide

C13H11BrClNO2 — CID 80965940

IUPAC4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H11BrClNO2/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-10(14)11(15)7-9/h2-8H,1H3,(H,16,17)
InChIKeyRGYAZOWLCFZOOU-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.19
Rot. Bonds3

About 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide

4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide (PubChem CID 80965940) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
PubChem CID80965940
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H11BrClNO2/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-10(14)11(15)7-9/h2-8H,1H3,(H,16,17)
InChIKeyRGYAZOWLCFZOOU-UHFFFAOYSA-N
XLogP4.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
4-bromo-N-[(1S)-1-(furan-2-yl)ethyl]-3-nitrobenzamide
CID 9482035
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide (CID 80965940) is 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)c(Cl)c1)c1ccco1.
What is the InChIKey of 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The InChIKey is RGYAZOWLCFZOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-10(14)11(15)7-9/h2-8H,1H3,(H,16,17).
What are the key properties of 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide has a molecular weight of 328.59 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 80965940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).