2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid

C17H15NO3 — CID 18405742

IUPAC2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
SMILESCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1C(=O)O
InChIInChI=1S/C17H15NO3/c1-12(19)18-16-10-9-14(11-15(16)17(20)21)8-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)(H,20,21)/b8-7+
InChIKeyLZIRWUMBSRTVOZ-BQYQJAHWSA-N
MW281.31 g/mol
LogP3.51
Rot. Bonds4

About 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid

2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid (PubChem CID 18405742) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid.

Molecular Properties

Compound Name2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
PubChem CID18405742
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
SMILESCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1C(=O)O
InChIInChI=1S/C17H15NO3/c1-12(19)18-16-10-9-14(11-15(16)17(20)21)8-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)(H,20,21)/b8-7+
InChIKeyLZIRWUMBSRTVOZ-BQYQJAHWSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-5-(2-phenylethenyl)benzoic acid
CID 70120363
2-[[4-(N-acetyl-4-carboxyanilino)benzoyl]amino]-5-(2-phenylethenyl)benzoic acid
CID 70119233
2-acetamido-5-phenylbenzoic acid
CID 70700127
CID 170843062
CID 170843062
2-acetamido-5-(phenylcarbamoylamino)benzoic acid
CID 3020564
1-[2,3-diacetyl-5-(2-phenylethenyl)phenyl]ethanone
CID 91565814
2-[[3,5-bis(4-carboxyphenyl)-2-methoxybenzoyl]amino]-5-(2-phenylethenyl)benzoic acid
CID 91523326
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
CID 680540
acetic acid;stilbene
CID 172803728
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
5-bromo-2-(3-phenylprop-2-enoylamino)benzoic acid
CID 72738376
2-acetamido-5-tert-butylbenzoic acid
CID 42560637

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid?
The IUPAC name of 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid (CID 18405742) is 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid.
What is the SMILES notation for 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid?
The canonical SMILES for 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid is CC(=O)Nc1ccc(/C=C/c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid?
The InChIKey is LZIRWUMBSRTVOZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12(19)18-16-10-9-14(11-15(16)17(20)21)8-7-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)(H,20,21)/b8-7+.
What are the key properties of 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid?
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid is sourced from PubChem (CID 18405742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).