5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

C22H20Cl2N2O3 — CID 2043476

IUPAC5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C22H20Cl2N2O3/c23-16-3-6-19(24)18(13-16)20-7-8-21(29-20)22(27)25-17-4-1-15(2-5-17)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H,25,27)
InChIKeyXWBCKKPYRUUVQU-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.34
Rot. Bonds5

About 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 2043476) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID2043476
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C22H20Cl2N2O3/c23-16-3-6-19(24)18(13-16)20-7-8-21(29-20)22(27)25-17-4-1-15(2-5-17)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H,25,27)
InChIKeyXWBCKKPYRUUVQU-UHFFFAOYSA-N
XLogP5.34
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 2043476) is 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is XWBCKKPYRUUVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c23-16-3-6-19(24)18(13-16)20-7-8-21(29-20)22(27)25-17-4-1-15(2-5-17)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H,25,27).
What are the key properties of 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide?
5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2043476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).