N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C14H19F3N2O2 — CID 892638

IUPACN-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-19(2)8-7-18-13(20)12-5-3-11(4-6-12)9-21-10-14(15,16)17/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeyKDYGKKUDAOGVTN-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.06
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 892638) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID892638
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-19(2)8-7-18-13(20)12-5-3-11(4-6-12)9-21-10-14(15,16)17/h3-6H,7-10H2,1-2H3,(H,18,20)
InChIKeyKDYGKKUDAOGVTN-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 892638) is N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is CN(C)CCNC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is KDYGKKUDAOGVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-19(2)8-7-18-13(20)12-5-3-11(4-6-12)9-21-10-14(15,16)17/h3-6H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 892638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).