2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide

C18H13ClFNO3 — CID 110274492

IUPAC2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide
SMILESO=C(NCc1cc(=O)oc2ccc(F)cc12)C(Cl)c1ccccc1
InChIInChI=1S/C18H13ClFNO3/c19-17(11-4-2-1-3-5-11)18(23)21-10-12-8-16(22)24-15-7-6-13(20)9-14(12)15/h1-9,17H,10H2,(H,21,23)
InChIKeyCSLNIKYESJFIDH-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide

2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide (PubChem CID 110274492) has the molecular formula C18H13ClFNO3 and a molecular weight of 345.76 g/mol. Its IUPAC name is 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide
PubChem CID110274492
Molecular FormulaC18H13ClFNO3
Molecular Weight345.76 g/mol
Exact Mass345.06
IUPAC Name2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide
SMILESO=C(NCc1cc(=O)oc2ccc(F)cc12)C(Cl)c1ccccc1
InChIInChI=1S/C18H13ClFNO3/c19-17(11-4-2-1-3-5-11)18(23)21-10-12-8-16(22)24-15-7-6-13(20)9-14(12)15/h1-9,17H,10H2,(H,21,23)
InChIKeyCSLNIKYESJFIDH-UHFFFAOYSA-N
XLogP3.53
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-oxo-6-propan-2-ylchromen-4-yl)methyl]-2-phenylacetamide
CID 110274494
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
6-fluoro-4-[2-(2-fluorophenyl)ethyl]chromen-2-one
CID 100959807
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
2-chloro-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-2-phenylacetamide
CID 110274497
1-[[[(2S)-2-hydroxy-2-phenylethyl]amino]methyl]benzo[f]chromen-3-one
CID 9265729
6-ethyl-7-hydroxy-4-[[[(2R)-2-phenylbutyl]amino]methyl]chromen-2-one
CID 8750080
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide
CID 54900213
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
6,7-dimethyl-4-[[[(2S)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide (CID 110274492) is 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide is O=C(NCc1cc(=O)oc2ccc(F)cc12)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide?
The InChIKey is CSLNIKYESJFIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO3/c19-17(11-4-2-1-3-5-11)18(23)21-10-12-8-16(22)24-15-7-6-13(20)9-14(12)15/h1-9,17H,10H2,(H,21,23).
What are the key properties of 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide?
2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide has a molecular weight of 345.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-fluoro-2-oxochromen-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110274492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).