N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide

C22H14Cl2F4N2O2 — CID 122182884

IUPACN-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C22H14Cl2F4N2O2/c1-30(21(32)19-16(24)3-2-4-17(19)25)18-8-6-11(10-14(18)22(26,27)28)13-9-12(20(29)31)5-7-15(13)23/h2-10H,1H3,(H2,29,31)
InChIKeyMGUOOCJJZFQVEZ-UHFFFAOYSA-N
MW485.26 g/mol
LogP6.19
Rot. Bonds4

About N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide

N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide (PubChem CID 122182884) has the molecular formula C22H14Cl2F4N2O2 and a molecular weight of 485.26 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
PubChem CID122182884
Molecular FormulaC22H14Cl2F4N2O2
Molecular Weight485.26 g/mol
Exact Mass484.04
IUPAC NameN-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1C(F)(F)F
InChIInChI=1S/C22H14Cl2F4N2O2/c1-30(21(32)19-16(24)3-2-4-17(19)25)18-8-6-11(10-14(18)22(26,27)28)13-9-12(20(29)31)5-7-15(13)23/h2-10H,1H3,(H2,29,31)
InChIKeyMGUOOCJJZFQVEZ-UHFFFAOYSA-N
XLogP6.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.26
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide (CID 122182884) is N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide is CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The InChIKey is MGUOOCJJZFQVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F4N2O2/c1-30(21(32)19-16(24)3-2-4-17(19)25)18-8-6-11(10-14(18)22(26,27)28)13-9-12(20(29)31)5-7-15(13)23/h2-10H,1H3,(H2,29,31).
What are the key properties of N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide has a molecular weight of 485.26 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-2-chlorophenyl)-2-(trifluoromethyl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 122182884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).