N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide

C18H20F3N3O2 — CID 66550469

IUPACN-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3N3O2/c1-24(2)12-11-22-17(25)13-3-5-14(6-4-13)23-15-7-9-16(10-8-15)26-18(19,20)21/h3-10,23H,11-12H2,1-2H3,(H,22,25)
InChIKeyFARHIFIXEBMFLL-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.62
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide

N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide (PubChem CID 66550469) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
PubChem CID66550469
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H20F3N3O2/c1-24(2)12-11-22-17(25)13-3-5-14(6-4-13)23-15-7-9-16(10-8-15)26-18(19,20)21/h3-10,23H,11-12H2,1-2H3,(H,22,25)
InChIKeyFARHIFIXEBMFLL-UHFFFAOYSA-N
XLogP3.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983044
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 21452931
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide
CID 58173013
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-[2-(dimethylamino)ethyl]-4-(octylamino)benzamide
CID 53361066

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide (CID 66550469) is N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide is CN(C)CCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide?
The InChIKey is FARHIFIXEBMFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-24(2)12-11-22-17(25)13-3-5-14(6-4-13)23-15-7-9-16(10-8-15)26-18(19,20)21/h3-10,23H,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide?
N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide has a molecular weight of 367.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide is sourced from PubChem (CID 66550469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).