4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide

C12H10ClF3N2O4 — CID 713777

IUPAC4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Cl)cc1)NC1(C(F)(F)F)OCCO1
InChIInChI=1S/C12H10ClF3N2O4/c13-8-3-1-7(2-4-8)9(19)17-10(20)18-12(11(14,15)16)21-5-6-22-12/h1-4H,5-6H2,(H2,17,18,19,20)
InChIKeyIPBCILXGBNSTRP-UHFFFAOYSA-N
MW338.67 g/mol
LogP2.04
Rot. Bonds2

About 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide

4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide (PubChem CID 713777) has the molecular formula C12H10ClF3N2O4 and a molecular weight of 338.67 g/mol. Its IUPAC name is 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide
PubChem CID713777
Molecular FormulaC12H10ClF3N2O4
Molecular Weight338.67 g/mol
Exact Mass338.03
IUPAC Name4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccc(Cl)cc1)NC1(C(F)(F)F)OCCO1
InChIInChI=1S/C12H10ClF3N2O4/c13-8-3-1-7(2-4-8)9(19)17-10(20)18-12(11(14,15)16)21-5-6-22-12/h1-4H,5-6H2,(H2,17,18,19,20)
InChIKeyIPBCILXGBNSTRP-UHFFFAOYSA-N
XLogP2.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide?
The IUPAC name of 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide (CID 713777) is 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccc(Cl)cc1)NC1(C(F)(F)F)OCCO1.
What is the InChIKey of 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide?
The InChIKey is IPBCILXGBNSTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O4/c13-8-3-1-7(2-4-8)9(19)17-10(20)18-12(11(14,15)16)21-5-6-22-12/h1-4H,5-6H2,(H2,17,18,19,20).
What are the key properties of 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide?
4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide has a molecular weight of 338.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 713777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).