N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C17H19ClN2O4 — CID 51122290

IUPACN-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCCOc2cccc(Cl)c2)c(C)o1
InChIInChI=1S/C17H19ClN2O4/c1-11-8-15(12(2)24-11)17(22)20-10-16(21)19-6-7-23-14-5-3-4-13(18)9-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQWWZSUMINNDDGV-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 51122290) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID51122290
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCCOc2cccc(Cl)c2)c(C)o1
InChIInChI=1S/C17H19ClN2O4/c1-11-8-15(12(2)24-11)17(22)20-10-16(21)19-6-7-23-14-5-3-4-13(18)9-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQWWZSUMINNDDGV-UHFFFAOYSA-N
XLogP2.47
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55873980
cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94182100
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 26976720
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55793954
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 51122290) is N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)NCCOc2cccc(Cl)c2)c(C)o1.
What is the InChIKey of N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QWWZSUMINNDDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-11-8-15(12(2)24-11)17(22)20-10-16(21)19-6-7-23-14-5-3-4-13(18)9-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 350.80 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 51122290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).