N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide

C26H25F3N4O3 — CID 60524314

IUPACN-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H25F3N4O3/c27-26(28,29)22-16-20(32-25(35)18-4-2-1-3-5-18)8-11-23(22)30-17-24(34)31-19-6-9-21(10-7-19)33-12-14-36-15-13-33/h1-11,16,30H,12-15,17H2,(H,31,34)(H,32,35)
InChIKeyFIMUDHOWKCMRTH-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.84
Rot. Bonds7

About N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide

N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 60524314) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID60524314
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC NameN-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H25F3N4O3/c27-26(28,29)22-16-20(32-25(35)18-4-2-1-3-5-18)8-11-23(22)30-17-24(34)31-19-6-9-21(10-7-19)33-12-14-36-15-13-33/h1-11,16,30H,12-15,17H2,(H,31,34)(H,32,35)
InChIKeyFIMUDHOWKCMRTH-UHFFFAOYSA-N
XLogP4.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60587785
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 10129238
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide (CID 60524314) is N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FIMUDHOWKCMRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c27-26(28,29)22-16-20(32-25(35)18-4-2-1-3-5-18)8-11-23(22)30-17-24(34)31-19-6-9-21(10-7-19)33-12-14-36-15-13-33/h1-11,16,30H,12-15,17H2,(H,31,34)(H,32,35).
What are the key properties of N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 498.51 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 60524314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).