ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide

C19H24F3N3O3 — CID 155713070

IUPACethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
SMILESCC.CC(O)NC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1.NC=O
InChIInChI=1S/C16H15F3N2O2.C2H6.CH3NO/c1-10(22)20-15(23)13-4-2-3-5-14(13)21-12-8-6-11(7-9-12)16(17,18)19;1-2;2-1-3/h2-10,21-22H,1H3,(H,20,23);1-2H3;1H,(H2,2,3)
InChIKeyGMTSJEMZLVJUIW-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.64
Rot. Bonds4

About ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide

ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide (PubChem CID 155713070) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound Nameethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
PubChem CID155713070
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC Nameethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
SMILESCC.CC(O)NC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1.NC=O
InChIInChI=1S/C16H15F3N2O2.C2H6.CH3NO/c1-10(22)20-15(23)13-4-2-3-5-14(13)21-12-8-6-11(7-9-12)16(17,18)19;1-2;2-1-3/h2-10,21-22H,1H3,(H,20,23);1-2H3;1H,(H2,2,3)
InChIKeyGMTSJEMZLVJUIW-UHFFFAOYSA-N
XLogP3.64
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
ethane;1-phenylsulfanyl-3-[[2-[4-(trifluoromethyl)anilino]benzoyl]amino]urea
CID 155713022
N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 147657405
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805
ethyl 2,2-dimethyl-3-oxo-3-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]propanoate
CID 155211832
2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 11617162
methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 91021616
[2-[4-(trifluoromethyl)anilino]phenyl]methanediol
CID 166685653
ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
CID 155712990

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide?
The IUPAC name of ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide (CID 155713070) is ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide is CC.CC(O)NC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1.NC=O.
What is the InChIKey of ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide?
The InChIKey is GMTSJEMZLVJUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2.C2H6.CH3NO/c1-10(22)20-15(23)13-4-2-3-5-14(13)21-12-8-6-11(7-9-12)16(17,18)19;1-2;2-1-3/h2-10,21-22H,1H3,(H,20,23);1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide?
ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide has a molecular weight of 399.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 155713070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).