N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide

C13H12ClNO2 — CID 51264786

IUPACN-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-9(10-3-2-4-12(14)7-10)15-13(16)11-5-6-17-8-11/h2-9H,1H3,(H,15,16)
InChIKeyWQFLBJFBZCGUNG-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide (PubChem CID 51264786) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
PubChem CID51264786
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC NameN-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2/c1-9(10-3-2-4-12(14)7-10)15-13(16)11-5-6-17-8-11/h2-9H,1H3,(H,15,16)
InChIKeyWQFLBJFBZCGUNG-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

N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide (CID 51264786) is N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide?
The InChIKey is WQFLBJFBZCGUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9(10-3-2-4-12(14)7-10)15-13(16)11-5-6-17-8-11/h2-9H,1H3,(H,15,16).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide 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 N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 51264786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).