2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

C21H24F3N3O2 — CID 60591570

IUPAC2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H24F3N3O2/c1-13(11-21(2,3)14-7-5-4-6-8-14)26-20(29)25-12-17(28)27-16-10-9-15(22)18(23)19(16)24/h4-10,13H,11-12H2,1-3H3,(H,27,28)(H2,25,26,29)
InChIKeyYQQMDIJNCRWNRO-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.10
Rot. Bonds7

About 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 60591570) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID60591570
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H24F3N3O2/c1-13(11-21(2,3)14-7-5-4-6-8-14)26-20(29)25-12-17(28)27-16-10-9-15(22)18(23)19(16)24/h4-10,13H,11-12H2,1-3H3,(H,27,28)(H2,25,26,29)
InChIKeyYQQMDIJNCRWNRO-UHFFFAOYSA-N
XLogP4.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 86916154
2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571611
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 124616800
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41474710
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 49154304
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 46633419
2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 18168717

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 60591570) is 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is CC(CC(C)(C)c1ccccc1)NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is YQQMDIJNCRWNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-13(11-21(2,3)14-7-5-4-6-8-14)26-20(29)25-12-17(28)27-16-10-9-15(22)18(23)19(16)24/h4-10,13H,11-12H2,1-3H3,(H,27,28)(H2,25,26,29).
What are the key properties of 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 407.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 60591570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).