N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide

C20H19F3N2O2 — CID 134801187

IUPACN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCC1CC1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-6-14(7-9-17)15-2-1-3-16(10-15)19(27)25-12-18(26)24-11-13-4-5-13/h1-3,6-10,13H,4-5,11-12H2,(H,24,26)(H,25,27)
InChIKeyFBODGLDTWFUABN-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide

N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 134801187) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID134801187
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCC1CC1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-6-14(7-9-17)15-2-1-3-16(10-15)19(27)25-12-18(26)24-11-13-4-5-13/h1-3,6-10,13H,4-5,11-12H2,(H,24,26)(H,25,27)
InChIKeyFBODGLDTWFUABN-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]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-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
3-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]benzoic acid
CID 18457811
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 134803176
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
4-[[(2-benzamidoacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 8022651
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
N-[[1-[3-(tert-butylamino)-2-oxopropyl]piperidin-4-yl]methyl]-3-[3-(trifluoromethyl)phenyl]benzamide
CID 134423107
N-[2-oxo-2-[[(1R,2S)-2-[(4-phenylbenzenecarbothioyl)amino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 87590841
N-pyrazin-1-ium-1-yl-3-[4-(trifluoromethyl)phenyl]benzamide
CID 166006262

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide (CID 134801187) is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide is O=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FBODGLDTWFUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)17-8-6-14(7-9-17)15-2-1-3-16(10-15)19(27)25-12-18(26)24-11-13-4-5-13/h1-3,6-10,13H,4-5,11-12H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 376.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134801187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).