N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide

C19H16F6N2O2 — CID 2565226

IUPACN-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O2/c20-18(21,22)13-9-12(10-14(11-13)19(23,24)25)17(28)26-15-1-3-16(4-2-15)27-5-7-29-8-6-27/h1-4,9-11H,5-8H2,(H,26,28)
InChIKeyRIBMWMJTLVJBIR-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.81
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide

N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 2565226) has the molecular formula C19H16F6N2O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID2565226
Molecular FormulaC19H16F6N2O2
Molecular Weight418.34 g/mol
Exact Mass418.11
IUPAC NameN-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O2/c20-18(21,22)13-9-12(10-14(11-13)19(23,24)25)17(28)26-15-1-3-16(4-2-15)27-5-7-29-8-6-27/h1-4,9-11H,5-8H2,(H,26,28)
InChIKeyRIBMWMJTLVJBIR-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl N-[3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-(trifluoromethyl)phenyl]carbamate
CID 167841855
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]benzamide
CID 18416442
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
N-[4-[3-[(5-morpholin-4-yl-2-pyridinyl)amino]-3-oxoprop-1-enyl]phenyl]-3-(trifluoromethyl)benzamide
CID 155125670
N-[3,5-bis(trifluoromethyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2977784
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide (CID 2565226) is N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is RIBMWMJTLVJBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O2/c20-18(21,22)13-9-12(10-14(11-13)19(23,24)25)17(28)26-15-1-3-16(4-2-15)27-5-7-29-8-6-27/h1-4,9-11H,5-8H2,(H,26,28).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide?
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 418.34 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 2565226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).