[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone

C26H20N2O2 — CID 110827191

IUPAC[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone
SMILESNC(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H20N2O2/c27-26(20-15-8-12-17-9-4-5-13-19(17)20)28-23-21-14-6-7-16-22(21)30-25(23)24(29)18-10-2-1-3-11-18/h1-16,26,28H,27H2
InChIKeyBKIQCYPXIRMYBZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.89
Rot. Bonds5

About [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone

[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone (PubChem CID 110827191) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone
PubChem CID110827191
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone
SMILESNC(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H20N2O2/c27-26(20-15-8-12-17-9-4-5-13-19(17)20)28-23-21-14-6-7-16-22(21)30-25(23)24(29)18-10-2-1-3-11-18/h1-16,26,28H,27H2
InChIKeyBKIQCYPXIRMYBZ-UHFFFAOYSA-N
XLogP5.89
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-(4-methylphenyl)methanone
CID 110827194
[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone
CID 110827243
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827099
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate
CID 91663330
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
2-[(2-benzoyl-1-benzofuran-3-yl)amino]-1-(3-fluoro-4-methylphenyl)ethanone
CID 110830459

Frequently Asked Questions

What is the IUPAC name of [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone?
The IUPAC name of [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone (CID 110827191) is [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone?
The canonical SMILES for [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone is NC(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone?
The InChIKey is BKIQCYPXIRMYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c27-26(20-15-8-12-17-9-4-5-13-19(17)20)28-23-21-14-6-7-16-22(21)30-25(23)24(29)18-10-2-1-3-11-18/h1-16,26,28H,27H2.
What are the key properties of [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone?
[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone has a molecular weight of 392.46 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 110827191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).