[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate

C21H20ClF3N2O3 — CID 155556041

IUPAC[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20ClF3N2O3/c22-14-8-11-18(30-20(29)27-15-4-2-1-3-5-15)17(12-14)19(28)26-16-9-6-13(7-10-16)21(23,24)25/h6-12,15H,1-5H2,(H,26,28)(H,27,29)
InChIKeyGAQGNXGPNKBFLO-UHFFFAOYSA-N
MW440.85 g/mol
LogP6.03
Rot. Bonds4

About [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate

[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate (PubChem CID 155556041) has the molecular formula C21H20ClF3N2O3 and a molecular weight of 440.85 g/mol. Its IUPAC name is [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate
PubChem CID155556041
Molecular FormulaC21H20ClF3N2O3
Molecular Weight440.85 g/mol
Exact Mass440.11
IUPAC Name[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20ClF3N2O3/c22-14-8-11-18(30-20(29)27-15-4-2-1-3-5-15)17(12-14)19(28)26-16-9-6-13(7-10-16)21(23,24)25/h6-12,15H,1-5H2,(H,26,28)(H,27,29)
InChIKeyGAQGNXGPNKBFLO-UHFFFAOYSA-N
XLogP6.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.85
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2-chloroethyl)carbamate
CID 122188848
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] 3-formamido-2-phenylmethoxypropanoate
CID 91386618
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
cyclohexyl 4-[(5-chloro-2-methoxybenzoyl)amino]benzoate
CID 17128661
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate (CID 155556041) is [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate?
The InChIKey is GAQGNXGPNKBFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O3/c22-14-8-11-18(30-20(29)27-15-4-2-1-3-5-15)17(12-14)19(28)26-16-9-6-13(7-10-16)21(23,24)25/h6-12,15H,1-5H2,(H,26,28)(H,27,29).
What are the key properties of [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate?
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate has a molecular weight of 440.85 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 155556041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).