3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide

C13H14F3NO3 — CID 68981863

IUPAC3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESNC(=O)c1ccc(OCC(F)(F)F)c(OCC2CC2)c1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)7-20-10-4-3-9(12(17)18)5-11(10)19-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,17,18)
InChIKeyDKSJUQHGCUSLBJ-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.52
Rot. Bonds6

About 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide

3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 68981863) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID68981863
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
SMILESNC(=O)c1ccc(OCC(F)(F)F)c(OCC2CC2)c1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)7-20-10-4-3-9(12(17)18)5-11(10)19-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,17,18)
InChIKeyDKSJUQHGCUSLBJ-UHFFFAOYSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
3-bromo-4-(cyclopropylmethoxy)benzamide
CID 138985778
4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 141118952
4-amino-3-(cycloheptylmethoxy)benzamide
CID 114247963
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
CID 161120964
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
3-(2,2-dicyanoethenylamino)-4-(2,2,2-trifluoroethoxy)benzamide
CID 168542826
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide (CID 68981863) is 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide is NC(=O)c1ccc(OCC(F)(F)F)c(OCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is DKSJUQHGCUSLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)7-20-10-4-3-9(12(17)18)5-11(10)19-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H2,17,18).
What are the key properties of 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide?
3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 289.25 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 68981863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).