5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide

C17H14Cl2FNO2 — CID 131980751

IUPAC5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C17H14Cl2FNO2/c18-11-4-12(19)6-13(5-11)23-8-10-3-16(20)15(17(21)22)7-14(10)9-1-2-9/h3-7,9H,1-2,8H2,(H2,21,22)
InChIKeyLPMVXKMOKXUMMU-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.69
Rot. Bonds5

About 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide

5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide (PubChem CID 131980751) has the molecular formula C17H14Cl2FNO2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide
PubChem CID131980751
Molecular FormulaC17H14Cl2FNO2
Molecular Weight354.21 g/mol
Exact Mass353.04
IUPAC Name5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C17H14Cl2FNO2/c18-11-4-12(19)6-13(5-11)23-8-10-3-16(20)15(17(21)22)7-14(10)9-1-2-9/h3-7,9H,1-2,8H2,(H2,21,22)
InChIKeyLPMVXKMOKXUMMU-UHFFFAOYSA-N
XLogP4.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide?
The IUPAC name of 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide (CID 131980751) is 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide is NC(=O)c1cc(C2CC2)c(COc2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide?
The InChIKey is LPMVXKMOKXUMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO2/c18-11-4-12(19)6-13(5-11)23-8-10-3-16(20)15(17(21)22)7-14(10)9-1-2-9/h3-7,9H,1-2,8H2,(H2,21,22).
What are the key properties of 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide?
5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide has a molecular weight of 354.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzamide is sourced from PubChem (CID 131980751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).