N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide

C27H20N2O4 — CID 22780436

IUPACN-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C27H20N2O4/c30-26(17-32-24-11-5-8-18-6-1-3-9-22(18)24)28-20-12-14-21(15-13-20)29-27(31)25-16-19-7-2-4-10-23(19)33-25/h1-16H,17H2,(H,28,30)(H,29,31)
InChIKeyNKRLGOIWOYMYPD-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.86
Rot. Bonds6

About N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide

N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 22780436) has the molecular formula C27H20N2O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID22780436
Molecular FormulaC27H20N2O4
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC NameN-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C27H20N2O4/c30-26(17-32-24-11-5-8-18-6-1-3-9-22(18)24)28-20-12-14-21(15-13-20)29-27(31)25-16-19-7-2-4-10-23(19)33-25/h1-16H,17H2,(H,28,30)(H,29,31)
InChIKeyNKRLGOIWOYMYPD-UHFFFAOYSA-N
XLogP5.86
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3576471
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3635368
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N'-[2-(2-methoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7719982

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 22780436) is N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide is O=C(COc1cccc2ccccc12)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NKRLGOIWOYMYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O4/c30-26(17-32-24-11-5-8-18-6-1-3-9-22(18)24)28-20-12-14-21(15-13-20)29-27(31)25-16-19-7-2-4-10-23(19)33-25/h1-16H,17H2,(H,28,30)(H,29,31).
What are the key properties of N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22780436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).