N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

C26H20N2O3 — CID 2836680

IUPACN-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(Nc1cccc(O)c1)C(=Cc1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C26H20N2O3/c29-22-14-7-13-21(17-22)27-26(31)24(28-25(30)19-9-2-1-3-10-19)16-20-12-6-11-18-8-4-5-15-23(18)20/h1-17,29H,(H,27,31)(H,28,30)
InChIKeySGVVPEKOYANVEC-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.95
Rot. Bonds5

About N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide

N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 2836680) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
PubChem CID2836680
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC NameN-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(Nc1cccc(O)c1)C(=Cc1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C26H20N2O3/c29-22-14-7-13-21(17-22)27-26(31)24(28-25(30)19-9-2-1-3-10-19)16-20-12-6-11-18-8-4-5-15-23(18)20/h1-17,29H,(H,27,31)(H,28,30)
InChIKeySGVVPEKOYANVEC-UHFFFAOYSA-N
XLogP4.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 92910310
4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 4208761
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(3-phenacylsulfanylanilino)prop-1-en-2-yl]benzamide
CID 19301486
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19301496
N-[(Z)-3-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]anilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19300715
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
N-[(E)-3-[3-[2-(3-methylanilino)-2-oxoethyl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19311452
N-[(Z)-3-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 22188371
N-[(E)-1-naphthalen-1-yl-3-oxo-3-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19311429
N-[(E)-3-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19311398
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 20834582
N-[(E)-3-[3-[2-(3-methylanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19311596

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide (CID 2836680) is N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide is O=C(Nc1cccc(O)c1)C(=Cc1cccc2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is SGVVPEKOYANVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c29-22-14-7-13-21(17-22)27-26(31)24(28-25(30)19-9-2-1-3-10-19)16-20-12-6-11-18-8-4-5-15-23(18)20/h1-17,29H,(H,27,31)(H,28,30).
What are the key properties of N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide?
N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2836680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).