N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide

C24H21ClN2O4 — CID 46269989

IUPACN-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(c2ccc(Cl)cc2)N2CCOCC2)oc2ccccc12)c1ccco1
InChIInChI=1S/C24H21ClN2O4/c25-17-9-7-16(8-10-17)22(27-11-14-29-15-12-27)23-21(18-4-1-2-5-19(18)31-23)26-24(28)20-6-3-13-30-20/h1-10,13,22H,11-12,14-15H2,(H,26,28)
InChIKeyNTFLEWZBTPBLFN-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.35
Rot. Bonds5

About N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide

N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide (PubChem CID 46269989) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
PubChem CID46269989
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC NameN-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(c2ccc(Cl)cc2)N2CCOCC2)oc2ccccc12)c1ccco1
InChIInChI=1S/C24H21ClN2O4/c25-17-9-7-16(8-10-17)22(27-11-14-29-15-12-27)23-21(18-4-1-2-5-19(18)31-23)26-24(28)20-6-3-13-30-20/h1-10,13,22H,11-12,14-15H2,(H,26,28)
InChIKeyNTFLEWZBTPBLFN-UHFFFAOYSA-N
XLogP5.35
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide (CID 46269989) is N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide is O=C(Nc1c(C(c2ccc(Cl)cc2)N2CCOCC2)oc2ccccc12)c1ccco1.
What is the InChIKey of N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
The InChIKey is NTFLEWZBTPBLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c25-17-9-7-16(8-10-17)22(27-11-14-29-15-12-27)23-21(18-4-1-2-5-19(18)31-23)26-24(28)20-6-3-13-30-20/h1-10,13,22H,11-12,14-15H2,(H,26,28).
What are the key properties of N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide?
N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide is sourced from PubChem (CID 46269989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).