N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide

C20H17Cl2NO3 — CID 18277180

IUPACN-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C20H17Cl2NO3/c1-23(11-12-25-15-6-4-5-14(21)13-15)20(24)19-10-9-18(26-19)16-7-2-3-8-17(16)22/h2-10,13H,11-12H2,1H3
InChIKeyCJIWMTVXMYNNQI-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.40
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide (PubChem CID 18277180) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
PubChem CID18277180
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C20H17Cl2NO3/c1-23(11-12-25-15-6-4-5-14(21)13-15)20(24)19-10-9-18(26-19)16-7-2-3-8-17(16)22/h2-10,13H,11-12H2,1H3
InChIKeyCJIWMTVXMYNNQI-UHFFFAOYSA-N
XLogP5.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 31285113
N-[2-(3-chlorophenoxy)ethyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 29480822
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 119658454
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274381
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide (CID 18277180) is N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
The InChIKey is CJIWMTVXMYNNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c1-23(11-12-25-15-6-4-5-14(21)13-15)20(24)19-10-9-18(26-19)16-7-2-3-8-17(16)22/h2-10,13H,11-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 18277180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).