N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide

C22H14ClF5N2O3 — CID 89130553

IUPACN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F
InChIInChI=1S/C22H14ClF5N2O3/c1-11-3-2-4-15(24)19(11)20(31)30-21(32)29-17-7-6-13(10-16(17)25)33-18-8-5-12(9-14(18)23)22(26,27)28/h2-10H,1H3,(H2,29,30,31,32)
InChIKeyRAOAOUGJURXMNH-UHFFFAOYSA-N
MW484.81 g/mol
LogP6.70
Rot. Bonds4

About N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide (PubChem CID 89130553) has the molecular formula C22H14ClF5N2O3 and a molecular weight of 484.81 g/mol. Its IUPAC name is N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
PubChem CID89130553
Molecular FormulaC22H14ClF5N2O3
Molecular Weight484.81 g/mol
Exact Mass484.06
IUPAC NameN-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F
InChIInChI=1S/C22H14ClF5N2O3/c1-11-3-2-4-15(24)19(11)20(31)30-21(32)29-17-7-6-13(10-16(17)25)33-18-8-5-12(9-14(18)23)22(26,27)28/h2-10H,1H3,(H2,29,30,31,32)
InChIKeyRAOAOUGJURXMNH-UHFFFAOYSA-N
XLogP6.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
CID 19873185
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
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-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 88657797
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
2-[3-[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]-5-(2,6-difluorobenzoyl)-4-oxo-1,3,5-triazinan-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 86599735
2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 14823060
N-[[4-(4-bromo-2,3-dimethylphenoxy)-3-chloro-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 14626021
N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide;methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 71769202
2-chloro-N-[[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 14441724
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-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide (CID 89130553) is N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide is Cc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F.
What is the InChIKey of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide?
The InChIKey is RAOAOUGJURXMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF5N2O3/c1-11-3-2-4-15(24)19(11)20(31)30-21(32)29-17-7-6-13(10-16(17)25)33-18-8-5-12(9-14(18)23)22(26,27)28/h2-10H,1H3,(H2,29,30,31,32).
What are the key properties of N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide?
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide has a molecular weight of 484.81 g/mol, XLogP of 6.70, 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-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 89130553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).