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

C24H20N2O — CID 110827243

IUPAC[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone
SMILESNC(Nc1ccccc1C(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H20N2O/c25-24(20-15-8-12-17-9-4-5-13-19(17)20)26-22-16-7-6-14-21(22)23(27)18-10-2-1-3-11-18/h1-16,24,26H,25H2
InChIKeyHIDLFKXCACCETA-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.14
Rot. Bonds5

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

[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone (PubChem CID 110827243) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone
PubChem CID110827243
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone
SMILESNC(Nc1ccccc1C(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C24H20N2O/c25-24(20-15-8-12-17-9-4-5-13-19(17)20)26-22-16-7-6-14-21(22)23(27)18-10-2-1-3-11-18/h1-16,24,26H,25H2
InChIKeyHIDLFKXCACCETA-UHFFFAOYSA-N
XLogP5.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'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]-phenylmethanone
CID 110827191
N'-methyl-1-naphthalen-1-ylmethanediamine
CID 116939404
methyl 2-(2-benzoylanilino)-3-[4-[2-(2-naphthalen-1-ylpropanoylamino)ethoxy]phenyl]propanoate
CID 69127706
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-(4-methylphenyl)methanone
CID 110827194
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
4-[amino(naphthalen-1-yl)methyl]benzoic acid;hydrochloride
CID 70088088
(2S)-2-(2-benzoylanilino)propanal
CID 90887440
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
CID 170818848
[2-ethoxy-3-(ethylamino)phenyl]-phenylmethanone
CID 67045669
(2-amino-2-naphthalen-1-ylethyl)carbamic acid
CID 150721997

Frequently Asked Questions

What is the IUPAC name of [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone?
The IUPAC name of [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone (CID 110827243) is [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone is NC(Nc1ccccc1C(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone?
The InChIKey is HIDLFKXCACCETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c25-24(20-15-8-12-17-9-4-5-13-19(17)20)26-22-16-7-6-14-21(22)23(27)18-10-2-1-3-11-18/h1-16,24,26H,25H2.
What are the key properties of [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone?
[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone has a molecular weight of 352.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 110827243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).