5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

C23H25ClN2O3 — CID 155565028

IUPAC5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C23H25ClN2O3/c1-2-19-20-15-17(24)5-8-21(20)29-22(19)23(27)25-10-9-16-3-6-18(7-4-16)26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3,(H,25,27)
InChIKeyNDOAOPPTOPCWNU-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.46
Rot. Bonds6

About 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide

5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 155565028) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID155565028
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C23H25ClN2O3/c1-2-19-20-15-17(24)5-8-21(20)29-22(19)23(27)25-10-9-16-3-6-18(7-4-16)26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3,(H,25,27)
InChIKeyNDOAOPPTOPCWNU-UHFFFAOYSA-N
XLogP4.46
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
(2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648344
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-(4-(((4-(4-Methoxyphenyl)oxan-4-Yl)methyl)carbamoyl)phenyl)-5-Methylfuran-2-Carboxamide
CID 71622125
N-[3-Chloranyl-4-[[4-(4-Methoxyphenyl)oxan-4-Yl]methylcarbamoyl]phenyl]furan-2-Carboxamide
CID 89649815
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 9980998
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
(S)-2-{4''-[(5-Chloro-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
CID 11421151
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 155565028) is 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is CCc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NDOAOPPTOPCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-2-19-20-15-17(24)5-8-21(20)29-22(19)23(27)25-10-9-16-3-6-18(7-4-16)26-11-13-28-14-12-26/h3-8,15H,2,9-14H2,1H3,(H,25,27).
What are the key properties of 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide?
5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155565028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).