2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide

C22H17F2NO3 — CID 18503955

IUPAC2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
SMILESNC(=O)Cc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C22H17F2NO3/c23-22(24)28-18-8-4-7-17-20(18)15-10-9-13(12-19(25)26)11-16(15)21(27-17)14-5-2-1-3-6-14/h1-11,21-22H,12H2,(H2,25,26)
InChIKeyPTICGAVOXZLKMV-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.46
Rot. Bonds5

About 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide

2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide (PubChem CID 18503955) has the molecular formula C22H17F2NO3 and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
PubChem CID18503955
Molecular FormulaC22H17F2NO3
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
SMILESNC(=O)Cc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C22H17F2NO3/c23-22(24)28-18-8-4-7-17-20(18)15-10-9-13(12-19(25)26)11-16(15)21(27-17)14-5-2-1-3-6-14/h1-11,21-22H,12H2,(H2,25,26)
InChIKeyPTICGAVOXZLKMV-UHFFFAOYSA-N
XLogP4.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
CID 18189280
3-[4-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoic acid
CID 18188913
[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188680
1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
CID 70026566
2-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 70028336
3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoic acid
CID 18188986
3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70027760
[1-(difluoromethoxy)-6-pyridin-2-yl-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18504013
[1-(difluoromethoxy)-6-[3-(methylsulfanylmethoxy)phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189059
2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026589
2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
CID 18188977
ethyl 3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoate
CID 18188760

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide?
The IUPAC name of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide (CID 18503955) is 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide?
The canonical SMILES for 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide is NC(=O)Cc1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide?
The InChIKey is PTICGAVOXZLKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO3/c23-22(24)28-18-8-4-7-17-20(18)15-10-9-13(12-19(25)26)11-16(15)21(27-17)14-5-2-1-3-6-14/h1-11,21-22H,12H2,(H2,25,26).
What are the key properties of 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide?
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide has a molecular weight of 381.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide is sourced from PubChem (CID 18503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).