2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide

C24H20ClF2NO3 — CID 70026589

IUPAC2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C24H20ClF2NO3/c1-24(2,22(28)29)14-9-10-16-17(12-14)21(13-5-3-6-15(25)11-13)30-18-7-4-8-19(20(16)18)31-23(26)27/h3-12,21,23H,1-2H3,(H2,28,29)
InChIKeyWKCGEJVCCLELCD-UHFFFAOYSA-N
MW443.88 g/mol
LogP5.85
Rot. Bonds5

About 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide

2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide (PubChem CID 70026589) has the molecular formula C24H20ClF2NO3 and a molecular weight of 443.88 g/mol. Its IUPAC name is 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
PubChem CID70026589
Molecular FormulaC24H20ClF2NO3
Molecular Weight443.88 g/mol
Exact Mass443.11
IUPAC Name2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C24H20ClF2NO3/c1-24(2,22(28)29)14-9-10-16-17(12-14)21(13-5-3-6-15(25)11-13)30-18-7-4-8-19(20(16)18)31-23(26)27/h3-12,21,23H,1-2H3,(H2,28,29)
InChIKeyWKCGEJVCCLELCD-UHFFFAOYSA-N
XLogP5.85
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.88
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026381
N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide
CID 18504065
N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide
CID 18189114
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
CID 18503955
2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
CID 18188977
2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70028281
3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoic acid
CID 18188986
ethyl 3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoate
CID 18188760
[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
3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70027760
2-[1-(difluoromethoxy)-6-prop-2-enyl-6H-benzo[c]chromen-8-yl]propane-2-sulfonamide
CID 70026446

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
The IUPAC name of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide (CID 70026589) is 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
The canonical SMILES for 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide is CC(C)(C(N)=O)c1ccc2c(c1)C(c1cccc(Cl)c1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
The InChIKey is WKCGEJVCCLELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2NO3/c1-24(2,22(28)29)14-9-10-16-17(12-14)21(13-5-3-6-15(25)11-13)30-18-7-4-8-19(20(16)18)31-23(26)27/h3-12,21,23H,1-2H3,(H2,28,29).
What are the key properties of 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide?
2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide has a molecular weight of 443.88 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide is sourced from PubChem (CID 70026589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).