3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide

C22H17ClF3N3O3 — CID 10173949

IUPAC3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C22H17ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-12H,1H3,(H,27,30)(H2,28,29,31)
InChIKeyCGFGJVMEGKQFPL-UHFFFAOYSA-N
MW463.84 g/mol
LogP6.15
Rot. Bonds5

About 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide

3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide (PubChem CID 10173949) has the molecular formula C22H17ClF3N3O3 and a molecular weight of 463.84 g/mol. Its IUPAC name is 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide
PubChem CID10173949
Molecular FormulaC22H17ClF3N3O3
Molecular Weight463.84 g/mol
Exact Mass463.09
IUPAC Name3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C22H17ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-12H,1H3,(H,27,30)(H2,28,29,31)
InChIKeyCGFGJVMEGKQFPL-UHFFFAOYSA-N
XLogP6.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Triflumuron
CID 47445
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide
CID 60196633
trans-4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-cyclohexyloxy}-benzoic acid
CID 60196634
8-(2-chlorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376134
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzamide
CID 774420
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide
CID 71682349
N-(2-{[(4-chloroanilino)carbonyl]amino}ethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenecarboxamide
CID 3739263
3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 10196590
3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-methyl-benzamide
CID 10310634
2-amino-5-[4-[(4-chlorobenzoyl)amino]phenoxy]-N-methylbenzamide
CID 73504975
N-[4-[4-amino-3-(methylcarbamoyl)phenoxy]phenyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 73505180
4-chloro-3-N-[4-(difluoromethoxy)-2-methylphenyl]-6-fluoro-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 166175739

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide?
The IUPAC name of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide (CID 10173949) is 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide?
The canonical SMILES for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide is CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide?
The InChIKey is CGFGJVMEGKQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-12H,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide?
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide has a molecular weight of 463.84 g/mol, XLogP of 6.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylbenzamide is sourced from PubChem (CID 10173949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).