N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide

C15H16ClNO3 — CID 31975278

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3/c16-12-3-5-14(6-4-12)20-11-9-17-15(18)8-7-13-2-1-10-19-13/h1-6,10H,7-9,11H2,(H,17,18)
InChIKeyPAVQAPXBLKEILW-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide

N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide (PubChem CID 31975278) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide
PubChem CID31975278
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3/c16-12-3-5-14(6-4-12)20-11-9-17-15(18)8-7-13-2-1-10-19-13/h1-6,10H,7-9,11H2,(H,17,18)
InChIKeyPAVQAPXBLKEILW-UHFFFAOYSA-N
XLogP3.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
CID 87002587
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-3-(furan-2-yl)propanamide
CID 110312504
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide (CID 31975278) is N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide?
The InChIKey is PAVQAPXBLKEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-12-3-5-14(6-4-12)20-11-9-17-15(18)8-7-13-2-1-10-19-13/h1-6,10H,7-9,11H2,(H,17,18).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide?
N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide has a molecular weight of 293.75 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 31975278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).