N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

C23H21F3N4O2 — CID 86861024

IUPACN-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESO=C(CNC(c1ccccc1)C(F)(F)F)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)21(16-8-3-1-4-9-16)27-15-20(31)28-18-12-7-13-19(14-18)30-22(32)29-17-10-5-2-6-11-17/h1-14,21,27H,15H2,(H,28,31)(H2,29,30,32)
InChIKeyLQJZPHOVOHHEBU-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.16
Rot. Bonds7

About N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (PubChem CID 86861024) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
PubChem CID86861024
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESO=C(CNC(c1ccccc1)C(F)(F)F)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)21(16-8-3-1-4-9-16)27-15-20(31)28-18-12-7-13-19(14-18)30-22(32)29-17-10-5-2-6-11-17/h1-14,21,27H,15H2,(H,28,31)(H2,29,30,32)
InChIKeyLQJZPHOVOHHEBU-UHFFFAOYSA-N
XLogP5.16
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861058
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2,2-diphenyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 18293083
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047
N-[4-[1-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 86860974
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
1-thiomorpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]ethanone
CID 95633483
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (CID 86861024) is N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The canonical SMILES for N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is O=C(CNC(c1ccccc1)C(F)(F)F)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The InChIKey is LQJZPHOVOHHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)21(16-8-3-1-4-9-16)27-15-20(31)28-18-12-7-13-19(14-18)30-22(32)29-17-10-5-2-6-11-17/h1-14,21,27H,15H2,(H,28,31)(H2,29,30,32).
What are the key properties of N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide has a molecular weight of 442.44 g/mol, XLogP of 5.16, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is sourced from PubChem (CID 86861024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).