N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide

C18H14Cl2FNO2 — CID 70304455

IUPACN-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C18H14Cl2FNO2/c1-10(23)22-9-13-6-5-11-7-12(21)8-14(18(11)24-13)17-15(19)3-2-4-16(17)20/h2-4,6-8H,5,9H2,1H3,(H,22,23)
InChIKeyWCAGJEVASWAQIB-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.75
Rot. Bonds3

About N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide

N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide (PubChem CID 70304455) has the molecular formula C18H14Cl2FNO2 and a molecular weight of 366.22 g/mol. Its IUPAC name is N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide
PubChem CID70304455
Molecular FormulaC18H14Cl2FNO2
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC NameN-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C18H14Cl2FNO2/c1-10(23)22-9-13-6-5-11-7-12(21)8-14(18(11)24-13)17-15(19)3-2-4-16(17)20/h2-4,6-8H,5,9H2,1H3,(H,22,23)
InChIKeyWCAGJEVASWAQIB-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide (CID 70304455) is N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide is CC(=O)NCC1=CCc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide?
The InChIKey is WCAGJEVASWAQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FNO2/c1-10(23)22-9-13-6-5-11-7-12(21)8-14(18(11)24-13)17-15(19)3-2-4-16(17)20/h2-4,6-8H,5,9H2,1H3,(H,22,23).
What are the key properties of N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide?
N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide has a molecular weight of 366.22 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(2,6-dichlorophenyl)-6-fluoro-4H-chromen-2-yl]methyl]acetamide is sourced from PubChem (CID 70304455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).