N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C19H20F3N3O2 — CID 38197953

IUPACN-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-12(2)23-18(27)25-16-9-7-15(8-10-16)24-17(26)11-13-3-5-14(6-4-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyCEGNRQFRDWSTDX-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.42
Rot. Bonds5

About N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 38197953) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID38197953
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3N3O2/c1-12(2)23-18(27)25-16-9-7-15(8-10-16)24-17(26)11-13-3-5-14(6-4-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyCEGNRQFRDWSTDX-UHFFFAOYSA-N
XLogP4.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 42852959
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 70268536
1-[4-[[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111295988
N-[4-(sulfamoylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55548784

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 38197953) is N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)NC(=O)Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CEGNRQFRDWSTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12(2)23-18(27)25-16-9-7-15(8-10-16)24-17(26)11-13-3-5-14(6-4-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 38197953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).