2-benzamido-3-naphthalen-1-ylprop-2-enoic acid

C20H15NO3 — CID 1099149

IUPAC2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C20H15NO3/c22-19(15-8-2-1-3-9-15)21-18(20(23)24)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-13H,(H,21,22)(H,23,24)
InChIKeyVTUJMBWZQYVSQK-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.70
Rot. Bonds4

About 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid

2-benzamido-3-naphthalen-1-ylprop-2-enoic acid (PubChem CID 1099149) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
PubChem CID1099149
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C20H15NO3/c22-19(15-8-2-1-3-9-15)21-18(20(23)24)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-13H,(H,21,22)(H,23,24)
InChIKeyVTUJMBWZQYVSQK-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 20834582
N-[(Z)-3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 92910310
N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2836680
N-[3-(4-methylpiperazin-1-yl)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2875560
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
methyl (2S)-2-[[(Z)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]propanoate
CID 12044309
N-[1-(2-hydroxyphenyl)-3-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 4914109
(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid
CID 58631482
N-[(Z)-1-(2-fluorophenyl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6516961
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-(3-phenacylsulfanylanilino)prop-1-en-2-yl]benzamide
CID 19301486
4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 4208761
N-[3-(azepan-1-yl)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1042794

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid?
The IUPAC name of 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid (CID 1099149) is 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid.
What is the SMILES notation for 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid?
The canonical SMILES for 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid is O=C(O)C(=Cc1cccc2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid?
The InChIKey is VTUJMBWZQYVSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-19(15-8-2-1-3-9-15)21-18(20(23)24)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-13H,(H,21,22)(H,23,24).
What are the key properties of 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid?
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid has a molecular weight of 317.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-naphthalen-1-ylprop-2-enoic acid is sourced from PubChem (CID 1099149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).