4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

C20H22F3N3O3 — CID 55852205

IUPAC4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-12(2)24-19(28)26-16-8-4-15(5-9-16)18(27)25-13(3)14-6-10-17(11-7-14)29-20(21,22)23/h4-13H,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyKIIDEBUMLLYXRK-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.61
Rot. Bonds6

About 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide

4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (PubChem CID 55852205) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
PubChem CID55852205
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-12(2)24-19(28)26-16-8-4-15(5-9-16)18(27)25-13(3)14-6-10-17(11-7-14)29-20(21,22)23/h4-13H,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyKIIDEBUMLLYXRK-UHFFFAOYSA-N
XLogP4.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
1-(4-aminobutan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115564848
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 26111659
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 4852669
1-(4-propan-2-ylphenyl)-3-[[4-(trifluoromethoxy)benzoyl]amino]thiourea
CID 9158023

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide (CID 55852205) is 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is CC(C)NC(=O)Nc1ccc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
The InChIKey is KIIDEBUMLLYXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-12(2)24-19(28)26-16-8-4-15(5-9-16)18(27)25-13(3)14-6-10-17(11-7-14)29-20(21,22)23/h4-13H,1-3H3,(H,25,27)(H2,24,26,28).
What are the key properties of 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide?
4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide has a molecular weight of 409.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylcarbamoylamino)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55852205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).