N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide

C18H14F3N3O3 — CID 95367441

IUPACN'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)17(27,13-7-2-1-3-8-13)11-23-15(25)16(26)24-14-9-5-4-6-12(14)10-22/h1-9,27H,11H2,(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyYQYHLPBIWGMHKR-KRWDZBQOSA-N
MW377.32 g/mol
LogP2.06
Rot. Bonds4

About N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide

N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide (PubChem CID 95367441) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
PubChem CID95367441
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)17(27,13-7-2-1-3-8-13)11-23-15(25)16(26)24-14-9-5-4-6-12(14)10-22/h1-9,27H,11H2,(H,23,25)(H,24,26)/t17-/m0/s1
InChIKeyYQYHLPBIWGMHKR-KRWDZBQOSA-N
XLogP2.06
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N-(2-phenylethyl)-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
CID 90498103
N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
CID 126852187
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N-[(2-chlorophenyl)methyl]-N'-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxamide
CID 56764248
N-[(2-chlorophenyl)methyl]-N'-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide
CID 95367454
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N'-(2-cyanophenyl)-N-(3-formamidopropyl)oxamide
CID 108501621
3-[[2-(2-cyanoanilino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7292746
N'-(2-cyanophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108501500

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide (CID 95367441) is N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide?
The InChIKey is YQYHLPBIWGMHKR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)17(27,13-7-2-1-3-8-13)11-23-15(25)16(26)24-14-9-5-4-6-12(14)10-22/h1-9,27H,11H2,(H,23,25)(H,24,26)/t17-/m0/s1.
What are the key properties of N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide?
N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide has a molecular weight of 377.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]oxamide is sourced from PubChem (CID 95367441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).