N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

C23H18Cl2F2N2O3 — CID 14626040

IUPACN-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1ccc(Oc2c(C)cc(NC(=O)NC(=O)c3c(F)cccc3F)c(C)c2Cl)c(Cl)c1
InChIInChI=1S/C23H18Cl2F2N2O3/c1-11-7-8-18(14(24)9-11)32-21-12(2)10-17(13(3)20(21)25)28-23(31)29-22(30)19-15(26)5-4-6-16(19)27/h4-10H,1-3H3,(H2,28,29,30,31)
InChIKeyFDJQMWWWHMQFSG-UHFFFAOYSA-N
MW479.31 g/mol
LogP6.95
Rot. Bonds4

About N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide

N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 14626040) has the molecular formula C23H18Cl2F2N2O3 and a molecular weight of 479.31 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID14626040
Molecular FormulaC23H18Cl2F2N2O3
Molecular Weight479.31 g/mol
Exact Mass478.07
IUPAC NameN-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1ccc(Oc2c(C)cc(NC(=O)NC(=O)c3c(F)cccc3F)c(C)c2Cl)c(Cl)c1
InChIInChI=1S/C23H18Cl2F2N2O3/c1-11-7-8-18(14(24)9-11)32-21-12(2)10-17(13(3)20(21)25)28-23(31)29-22(30)19-15(26)5-4-6-16(19)27/h4-10H,1-3H3,(H2,28,29,30,31)
InChIKeyFDJQMWWWHMQFSG-UHFFFAOYSA-N
XLogP6.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.31
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-(2-chloro-4-fluorophenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626084
N-[[4-(4-bromo-2-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626064
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14626055
N-[[4-(4-bromo-2-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamothioyl]-2,6-difluorobenzamide
CID 19072855
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]-6-fluorobenzamide
CID 19934975
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
2,6-dichloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19072595
N-[[3-chloro-4-(4-cyano-2-phenylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072641
N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072665

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide (CID 14626040) is N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is Cc1ccc(Oc2c(C)cc(NC(=O)NC(=O)c3c(F)cccc3F)c(C)c2Cl)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is FDJQMWWWHMQFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F2N2O3/c1-11-7-8-18(14(24)9-11)32-21-12(2)10-17(13(3)20(21)25)28-23(31)29-22(30)19-15(26)5-4-6-16(19)27/h4-10H,1-3H3,(H2,28,29,30,31).
What are the key properties of N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 479.31 g/mol, XLogP of 6.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 14626040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).