N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

C23H27F3N4O2 — CID 5024938

IUPACN-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H27F3N4O2/c1-30(2)20-12-11-18(14-19(20)21(31)27-16-8-4-3-5-9-16)29-22(32)28-17-10-6-7-15(13-17)23(24,25)26/h6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,27,31)(H2,28,29,32)
InChIKeyQUSYRNYJRVGNOH-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.48
Rot. Bonds5

About N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 5024938) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID5024938
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC NameN-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H27F3N4O2/c1-30(2)20-12-11-18(14-19(20)21(31)27-16-8-4-3-5-9-16)29-22(32)28-17-10-6-7-15(13-17)23(24,25)26/h6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,27,31)(H2,28,29,32)
InChIKeyQUSYRNYJRVGNOH-UHFFFAOYSA-N
XLogP5.48
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.48
H-Bond Donors ≤ 53
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

N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 4015085
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 4317913
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
CID 42747228
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 1064549
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 5024938) is N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is CN(C)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is QUSYRNYJRVGNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-30(2)20-12-11-18(14-19(20)21(31)27-16-8-4-3-5-9-16)29-22(32)28-17-10-6-7-15(13-17)23(24,25)26/h6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,27,31)(H2,28,29,32).
What are the key properties of N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 448.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 5024938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).