5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

C20H19ClN2O3 — CID 55951792

IUPAC5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N3CCOCC3)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H19ClN2O3/c1-13-17-11-14(21)5-6-18(17)26-19(13)20(24)22-15-3-2-4-16(12-15)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyNOABQOXIZQLOKU-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.48
Rot. Bonds3

About 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 55951792) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID55951792
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N3CCOCC3)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H19ClN2O3/c1-13-17-11-14(21)5-6-18(17)26-19(13)20(24)22-15-3-2-4-16(12-15)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24)
InChIKeyNOABQOXIZQLOKU-UHFFFAOYSA-N
XLogP4.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 55380606
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
5-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 29105864
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
5-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55671766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide (CID 55951792) is 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(N3CCOCC3)c2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is NOABQOXIZQLOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-17-11-14(21)5-6-18(17)26-19(13)20(24)22-15-3-2-4-16(12-15)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24).
What are the key properties of 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55951792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).