2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide

C24H18ClNO3 — CID 110274473

IUPAC2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
SMILESCc1cccc(-c2cc(=O)c3cc(NC(=O)C(Cl)c4ccccc4)ccc3o2)c1
InChIInChI=1S/C24H18ClNO3/c1-15-6-5-9-17(12-15)22-14-20(27)19-13-18(10-11-21(19)29-22)26-24(28)23(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,26,28)
InChIKeySQSLJHRNUZOSSN-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.69
Rot. Bonds4

About 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide

2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide (PubChem CID 110274473) has the molecular formula C24H18ClNO3 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
PubChem CID110274473
Molecular FormulaC24H18ClNO3
Molecular Weight403.87 g/mol
Exact Mass403.10
IUPAC Name2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
SMILESCc1cccc(-c2cc(=O)c3cc(NC(=O)C(Cl)c4ccccc4)ccc3o2)c1
InChIInChI=1S/C24H18ClNO3/c1-15-6-5-9-17(12-15)22-14-20(27)19-13-18(10-11-21(19)29-22)26-24(28)23(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,26,28)
InChIKeySQSLJHRNUZOSSN-UHFFFAOYSA-N
XLogP5.69
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672
2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274479
2-methoxy-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568743
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568688
6-amino-2-(3-methylphenyl)chromen-4-one
CID 18568648
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
CID 18568668
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide
CID 108790205
[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate
CID 101482306
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide (CID 110274473) is 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide is Cc1cccc(-c2cc(=O)c3cc(NC(=O)C(Cl)c4ccccc4)ccc3o2)c1.
What is the InChIKey of 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
The InChIKey is SQSLJHRNUZOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO3/c1-15-6-5-9-17(12-15)22-14-20(27)19-13-18(10-11-21(19)29-22)26-24(28)23(25)16-7-3-2-4-8-16/h2-14,23H,1H3,(H,26,28).
What are the key properties of 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide?
2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide has a molecular weight of 403.87 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide is sourced from PubChem (CID 110274473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).