N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide

C24H18ClF5N2O3 — CID 12817125

IUPACN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(C)c1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H18ClF5N2O3/c1-11-9-18(31-23(34)32-22(33)20-16(26)5-4-6-17(20)27)12(2)13(3)21(11)35-19-8-7-14(10-15(19)25)24(28,29)30/h4-10H,1-3H3,(H2,31,32,33,34)
InChIKeyYNFGVPFQVZLPAL-UHFFFAOYSA-N
MW512.86 g/mol
LogP7.32
Rot. Bonds4

About N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 12817125) has the molecular formula C24H18ClF5N2O3 and a molecular weight of 512.86 g/mol. Its IUPAC name is N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID12817125
Molecular FormulaC24H18ClF5N2O3
Molecular Weight512.86 g/mol
Exact Mass512.09
IUPAC NameN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(C)c1Oc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H18ClF5N2O3/c1-11-9-18(31-23(34)32-22(33)20-16(26)5-4-6-17(20)27)12(2)13(3)21(11)35-19-8-7-14(10-15(19)25)24(28,29)30/h4-10H,1-3H3,(H2,31,32,33,34)
InChIKeyYNFGVPFQVZLPAL-UHFFFAOYSA-N
XLogP7.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.86
LogP ≤ 57.32
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-[[3-chloro-4-(2-chloro-4-methylphenoxy)-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626040
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
CID 89130553
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
CID 19873185
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021
N-[[4-(4-bromo-2-fluorophenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626064
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 88657797
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
3-chloro-1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-[(2S)-1-methylsulfonylpropan-2-yl]benzene-1,2-dicarboxamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 16734925
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide (CID 12817125) is N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(C)c(C)c1Oc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is YNFGVPFQVZLPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF5N2O3/c1-11-9-18(31-23(34)32-22(33)20-16(26)5-4-6-17(20)27)12(2)13(3)21(11)35-19-8-7-14(10-15(19)25)24(28,29)30/h4-10H,1-3H3,(H2,31,32,33,34).
What are the key properties of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 512.86 g/mol, XLogP of 7.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 12817125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).