N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C14H16F3N3O3 — CID 58805177

IUPACN-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCNC(=O)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-18-12(21)10-3-2-9(20-4-6-23-7-5-20)8-11(10)19-13(22)14(15,16)17/h2-3,8H,4-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyQTMLJAJRGNGHSE-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.38
Rot. Bonds3

About N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 58805177) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID58805177
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCNC(=O)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-18-12(21)10-3-2-9(20-4-6-23-7-5-20)8-11(10)19-13(22)14(15,16)17/h2-3,8H,4-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyQTMLJAJRGNGHSE-UHFFFAOYSA-N
XLogP1.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 58805203
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 117076920
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
propan-2-yl 2,4-dimethyl-5-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55864298
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 58805177) is N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CNC(=O)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is QTMLJAJRGNGHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-18-12(21)10-3-2-9(20-4-6-23-7-5-20)8-11(10)19-13(22)14(15,16)17/h2-3,8H,4-7H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 331.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 58805177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).