8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

C18H14ClNO3 — CID 100794727

IUPAC8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C18H14ClNO3/c19-15-8-4-7-13-11-14(18(22)23-16(13)15)17(21)20-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,21)
InChIKeyNVBUASQUSOQIBH-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.42
Rot. Bonds4

About 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (PubChem CID 100794727) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
PubChem CID100794727
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C18H14ClNO3/c19-15-8-4-7-13-11-14(18(22)23-16(13)15)17(21)20-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,21)
InChIKeyNVBUASQUSOQIBH-UHFFFAOYSA-N
XLogP3.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
8-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide
CID 100794915
8-chloro-2-oxo-N-[(2S)-pentan-2-yl]chromene-3-carboxamide
CID 100794917
8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 100794927
8-chloro-N-(2-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794922
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
CID 100794759
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
8-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 100794958
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
CID 100794805

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The IUPAC name of 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (CID 100794727) is 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is O=C(NCCc1ccccc1)c1cc2cccc(Cl)c2oc1=O.
What is the InChIKey of 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The InChIKey is NVBUASQUSOQIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-15-8-4-7-13-11-14(18(22)23-16(13)15)17(21)20-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 100794727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).