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

C13H12ClNO2 — CID 18116836

IUPAC2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C13H12ClNO2/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-9H,1H3,(H,15,16)
InChIKeyRCQFMKRUPHBJOW-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.42
Rot. Bonds3

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

2-chloro-N-[1-(furan-2-yl)ethyl]benzamide (PubChem CID 18116836) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
PubChem CID18116836
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C13H12ClNO2/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-9H,1H3,(H,15,16)
InChIKeyRCQFMKRUPHBJOW-UHFFFAOYSA-N
XLogP3.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide (CID 18116836) is 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1Cl)c1ccco1.
What is the InChIKey of 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The InChIKey is RCQFMKRUPHBJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-9H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide has a molecular weight of 249.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 18116836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).