N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide

C18H15ClN2O2 — CID 3697054

IUPACN-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide
SMILESNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2/c19-15-11-5-4-10-14(15)18(23)21-16(17(20)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,20,22)(H,21,23)
InChIKeyICQNWKZVQZTJLX-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.15
Rot. Bonds5

About N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide

N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide (PubChem CID 3697054) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide
PubChem CID3697054
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide
SMILESNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O2/c19-15-11-5-4-10-14(15)18(23)21-16(17(20)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,20,22)(H,21,23)
InChIKeyICQNWKZVQZTJLX-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide?
The IUPAC name of N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide (CID 3697054) is N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide?
The canonical SMILES for N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide is NC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1Cl.
What is the InChIKey of N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide?
The InChIKey is ICQNWKZVQZTJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-15-11-5-4-10-14(15)18(23)21-16(17(20)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,20,22)(H,21,23).
What are the key properties of N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide?
N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide has a molecular weight of 326.78 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 3697054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).