N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide

C20H24F3N3O2 — CID 70810463

IUPACN-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide
SMILESCCNCCCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C20H24F3N3O2/c1-3-24-11-4-12-25-19(27)15-5-10-18(14(2)13-15)26-16-6-8-17(9-7-16)28-20(21,22)23/h5-10,13,24,26H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKeyNSAYXBQKSKUMOP-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.37
Rot. Bonds9

About N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide

N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide (PubChem CID 70810463) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide
PubChem CID70810463
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide
SMILESCCNCCCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C20H24F3N3O2/c1-3-24-11-4-12-25-19(27)15-5-10-18(14(2)13-15)26-16-6-8-17(9-7-16)28-20(21,22)23/h5-10,13,24,26H,3-4,11-12H2,1-2H3,(H,25,27)
InChIKeyNSAYXBQKSKUMOP-UHFFFAOYSA-N
XLogP4.37
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide
CID 88991666
N-[2-(dimethylamino)ethyl]-4-[4-(trifluoromethoxy)anilino]benzamide
CID 66550469
3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide
CID 70810503
N-[3-(diethylamino)propyl]-4-methyl-3-[[4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzoyl]amino]benzamide
CID 77108320
N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
CID 71001471
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
3-(ethylamino)-N-(3-methoxypropyl)-4-[C-methyl-N-[4-(trifluoromethoxy)phenyl]carbonimidoyl]benzamide
CID 138567596
N-[7-[ethyl-[4-(trifluoromethoxy)benzoyl]amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 21452931
N-(3-methoxypropyl)-4-[5-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 42635274
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
N-[2-(diethylamino)ethyl]-2-[4-(trifluoromethoxy)anilino]benzamide
CID 58173013

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide?
The IUPAC name of N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide (CID 70810463) is N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide is CCNCCCNC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)c(C)c1.
What is the InChIKey of N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide?
The InChIKey is NSAYXBQKSKUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-3-24-11-4-12-25-19(27)15-5-10-18(14(2)13-15)26-16-6-8-17(9-7-16)28-20(21,22)23/h5-10,13,24,26H,3-4,11-12H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide?
N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide has a molecular weight of 395.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide is sourced from PubChem (CID 70810463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).