N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

C24H17F2NO3 — CID 108787054

IUPACN-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4c(F)cccc4F)cc3)cc(=O)c2c1
InChIInChI=1S/C24H17F2NO3/c1-13-10-14(2)23-17(11-13)20(28)12-21(30-23)15-6-8-16(9-7-15)24(29)27-22-18(25)4-3-5-19(22)26/h3-12H,1-2H3,(H,27,29)
InChIKeyNMTCXPGQBLNNLT-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.61
Rot. Bonds3

About N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (PubChem CID 108787054) has the molecular formula C24H17F2NO3 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
PubChem CID108787054
Molecular FormulaC24H17F2NO3
Molecular Weight405.40 g/mol
Exact Mass405.12
IUPAC NameN-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4c(F)cccc4F)cc3)cc(=O)c2c1
InChIInChI=1S/C24H17F2NO3/c1-13-10-14(2)23-17(11-13)20(28)12-21(30-23)15-6-8-16(9-7-15)24(29)27-22-18(25)4-3-5-19(22)26/h3-12H,1-2H3,(H,27,29)
InChIKeyNMTCXPGQBLNNLT-UHFFFAOYSA-N
XLogP5.61
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799914
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787133
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787093

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (CID 108787054) is N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4c(F)cccc4F)cc3)cc(=O)c2c1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The InChIKey is NMTCXPGQBLNNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO3/c1-13-10-14(2)23-17(11-13)20(28)12-21(30-23)15-6-8-16(9-7-15)24(29)27-22-18(25)4-3-5-19(22)26/h3-12H,1-2H3,(H,27,29).
What are the key properties of N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide has a molecular weight of 405.40 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108787054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).