N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide

C27H27N3O4 — CID 59737462

IUPACN-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN2CCOCC2)cc2cc(C(=O)Nc3cc(-c4ccccc4)ccc3N)oc12
InChIInChI=1S/C27H27N3O4/c1-32-24-14-18(17-30-9-11-33-12-10-30)13-21-16-25(34-26(21)24)27(31)29-23-15-20(7-8-22(23)28)19-5-3-2-4-6-19/h2-8,13-16H,9-12,17,28H2,1H3,(H,29,31)
InChIKeyFWJOVUJUXJNRLS-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.78
Rot. Bonds6

About N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide

N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 59737462) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID59737462
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN2CCOCC2)cc2cc(C(=O)Nc3cc(-c4ccccc4)ccc3N)oc12
InChIInChI=1S/C27H27N3O4/c1-32-24-14-18(17-30-9-11-33-12-10-30)13-21-16-25(34-26(21)24)27(31)29-23-15-20(7-8-22(23)28)19-5-3-2-4-6-19/h2-8,13-16H,9-12,17,28H2,1H3,(H,29,31)
InChIKeyFWJOVUJUXJNRLS-UHFFFAOYSA-N
XLogP4.78
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-5-(4-fluorophenyl)phenyl]-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 59737262
N-(2-amino-5-phenylphenyl)-5,6-dimethoxy-1-benzofuran-2-carboxamide
CID 59737565
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
CID 90116038
2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 87227519
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
N-[2-amino-5-(6-fluoro-3-pyridinyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 69101495
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 28669452
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 91527109

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 59737462) is N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide is COc1cc(CN2CCOCC2)cc2cc(C(=O)Nc3cc(-c4ccccc4)ccc3N)oc12.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is FWJOVUJUXJNRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-32-24-14-18(17-30-9-11-33-12-10-30)13-21-16-25(34-26(21)24)27(31)29-23-15-20(7-8-22(23)28)19-5-3-2-4-6-19/h2-8,13-16H,9-12,17,28H2,1H3,(H,29,31).
What are the key properties of N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide?
N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59737462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).