N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

C21H17Cl3N2O3 — CID 5032750

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C21H17Cl3N2O3/c22-13-1-3-15(16(24)11-13)19-5-6-20(29-19)21(27)25-17-12-14(23)2-4-18(17)26-7-9-28-10-8-26/h1-6,11-12H,7-10H2,(H,25,27)
InChIKeyPUIJKYXAOZNHLV-UHFFFAOYSA-N
MW451.74 g/mol
LogP6.00
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 5032750) has the molecular formula C21H17Cl3N2O3 and a molecular weight of 451.74 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID5032750
Molecular FormulaC21H17Cl3N2O3
Molecular Weight451.74 g/mol
Exact Mass450.03
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C21H17Cl3N2O3/c22-13-1-3-15(16(24)11-13)19-5-6-20(29-19)21(27)25-17-12-14(23)2-4-18(17)26-7-9-28-10-8-26/h1-6,11-12H,7-10H2,(H,25,27)
InChIKeyPUIJKYXAOZNHLV-UHFFFAOYSA-N
XLogP6.00
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.74
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
5-(4-chlorophenyl)-N-(5-methoxy-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 17354423
5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117717
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
5-(4-acetylphenyl)-N-(5-chloro-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 4965545
N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17318351
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 5032750) is N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is PUIJKYXAOZNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N2O3/c22-13-1-3-15(16(24)11-13)19-5-6-20(29-19)21(27)25-17-12-14(23)2-4-18(17)26-7-9-28-10-8-26/h1-6,11-12H,7-10H2,(H,25,27).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 451.74 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 5032750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).