N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one

C27H26Cl2F2N2O3 — CID 142950035

IUPACN-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one
SMILESCCCCC(C)=O.Cc1ccc2c(c1)-c1c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC(F)F)c1C2
InChIInChI=1S/C21H14Cl2F2N2O2.C6H12O/c1-10-2-3-11-7-14-17(29-21(24)25)5-4-12(18(14)13(11)6-10)20(28)27-19-15(22)8-26-9-16(19)23;1-3-4-5-6(2)7/h2-6,8-9,21H,7H2,1H3,(H,26,27,28);3-5H2,1-2H3
InChIKeyRXAGRXWQZMEHCJ-UHFFFAOYSA-N
MW535.42 g/mol
LogP7.89
Rot. Bonds7

About N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one

N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one (PubChem CID 142950035) has the molecular formula C27H26Cl2F2N2O3 and a molecular weight of 535.42 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one
PubChem CID142950035
Molecular FormulaC27H26Cl2F2N2O3
Molecular Weight535.42 g/mol
Exact Mass534.13
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one
SMILESCCCCC(C)=O.Cc1ccc2c(c1)-c1c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC(F)F)c1C2
InChIInChI=1S/C21H14Cl2F2N2O2.C6H12O/c1-10-2-3-11-7-14-17(29-21(24)25)5-4-12(18(14)13(11)6-10)20(28)27-19-15(22)8-26-9-16(19)23;1-3-4-5-6(2)7/h2-6,8-9,21H,7H2,1H3,(H,26,27,28);3-5H2,1-2H3
InChIKeyRXAGRXWQZMEHCJ-UHFFFAOYSA-N
XLogP7.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.42
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one with MolForge

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Related Compounds

3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 140646532
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 21187878
sodium;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;hydroxide
CID 137440562
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
ethyl 3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]benzoate
CID 71262642
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
(2S)-N-(3,5-dichloro-4-pyridinyl)-8-(difluoromethoxy)-2-ethyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 141476015
N-(3-chloro-5-iodo-4-pyridinyl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 70344985
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
methyl 3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoyl]-2-(difluoromethoxy)phenoxy]propylsulfanyl]benzoate
CID 71262634
3-chloropropyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-(difluoromethoxy)dibenzofuran-2-yl]methanimidate
CID 58867885

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one (CID 142950035) is N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one is CCCCC(C)=O.Cc1ccc2c(c1)-c1c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC(F)F)c1C2.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one?
The InChIKey is RXAGRXWQZMEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F2N2O2.C6H12O/c1-10-2-3-11-7-14-17(29-21(24)25)5-4-12(18(14)13(11)6-10)20(28)27-19-15(22)8-26-9-16(19)23;1-3-4-5-6(2)7/h2-6,8-9,21H,7H2,1H3,(H,26,27,28);3-5H2,1-2H3.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one?
N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one has a molecular weight of 535.42 g/mol, XLogP of 7.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-1-(difluoromethoxy)-6-methyl-9H-fluorene-4-carboxamide;hexan-2-one is sourced from PubChem (CID 142950035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).