3-(anilinomethyl)-6,8-dichlorochromen-4-one

C16H11Cl2NO2 — CID 170946544

IUPAC3-(anilinomethyl)-6,8-dichlorochromen-4-one
SMILESO=c1c(CNc2ccccc2)coc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H11Cl2NO2/c17-11-6-13-15(20)10(9-21-16(13)14(18)7-11)8-19-12-4-2-1-3-5-12/h1-7,9,19H,8H2
InChIKeyZOEPOCOWPHQOAL-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.71
Rot. Bonds3

About 3-(anilinomethyl)-6,8-dichlorochromen-4-one

3-(anilinomethyl)-6,8-dichlorochromen-4-one (PubChem CID 170946544) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-(anilinomethyl)-6,8-dichlorochromen-4-one.

Molecular Properties

Compound Name3-(anilinomethyl)-6,8-dichlorochromen-4-one
PubChem CID170946544
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name3-(anilinomethyl)-6,8-dichlorochromen-4-one
SMILESO=c1c(CNc2ccccc2)coc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H11Cl2NO2/c17-11-6-13-15(20)10(9-21-16(13)14(18)7-11)8-19-12-4-2-1-3-5-12/h1-7,9,19H,8H2
InChIKeyZOEPOCOWPHQOAL-UHFFFAOYSA-N
XLogP4.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(anilinomethyl)-6,7-dimethylchromen-4-one
CID 170946555
3-amino-6,8-dichlorochromen-4-one
CID 102172554
3-(6,8-dichloro-4-oxochromen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880363
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
CID 126122407
3-[[3-(trifluoromethyl)anilino]methyl]chromen-4-one
CID 175346949
6,8-dichloro-3-[(6,7-dimethoxyisoquinolin-4-yl)methyl]chromen-4-one
CID 74539560
6,8-dichloro-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-4-one
CID 2846155
5-(anilinomethyl)-2-[(2,4-dichlorophenyl)methyl]-4H-1,2,4-triazol-3-one
CID 135658314
(5,7-dichloro-1-benzofuran-3-yl)methyl methanesulfonate
CID 118564134
(5Z)-3-[(2-chloro-4-fluorophenyl)methyl]-5-[(6,8-dichloro-4-oxochromen-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126387033
3-[(3-hydroxy-4-methoxyanilino)methyl]chromen-4-one
CID 175346947
2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 7747825

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-6,8-dichlorochromen-4-one?
The IUPAC name of 3-(anilinomethyl)-6,8-dichlorochromen-4-one (CID 170946544) is 3-(anilinomethyl)-6,8-dichlorochromen-4-one.
What is the SMILES notation for 3-(anilinomethyl)-6,8-dichlorochromen-4-one?
The canonical SMILES for 3-(anilinomethyl)-6,8-dichlorochromen-4-one is O=c1c(CNc2ccccc2)coc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 3-(anilinomethyl)-6,8-dichlorochromen-4-one?
The InChIKey is ZOEPOCOWPHQOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-11-6-13-15(20)10(9-21-16(13)14(18)7-11)8-19-12-4-2-1-3-5-12/h1-7,9,19H,8H2.
What are the key properties of 3-(anilinomethyl)-6,8-dichlorochromen-4-one?
3-(anilinomethyl)-6,8-dichlorochromen-4-one has a molecular weight of 320.18 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-6,8-dichlorochromen-4-one is sourced from PubChem (CID 170946544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).