N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide

C20H21F3N2O4 — CID 99872932

IUPACN-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCC[C@H](CCO)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O4/c21-20(22,23)29-17-8-6-16(7-9-17)25-19(28)18(27)24-12-10-15(11-13-26)14-4-2-1-3-5-14/h1-9,15,26H,10-13H2,(H,24,27)(H,25,28)/t15-/m1/s1
InChIKeyBYCFOFJMAAAELR-OAHLLOKOSA-N
MW410.39 g/mol
LogP3.20
Rot. Bonds8

About N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide

N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (PubChem CID 99872932) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
PubChem CID99872932
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC NameN-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
SMILESO=C(NCC[C@H](CCO)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O4/c21-20(22,23)29-17-8-6-16(7-9-17)25-19(28)18(27)24-12-10-15(11-13-26)14-4-2-1-3-5-14/h1-9,15,26H,10-13H2,(H,24,27)(H,25,28)/t15-/m1/s1
InChIKeyBYCFOFJMAAAELR-OAHLLOKOSA-N
XLogP3.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.20
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'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
CID 121112357
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 4845915
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
4-ethoxy-N-(5-hydroxy-3-phenylpentyl)benzamide
CID 121112163
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95986776
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 42268855
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The IUPAC name of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide (CID 99872932) is N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide.
What is the SMILES notation for N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The canonical SMILES for N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is O=C(NCC[C@H](CCO)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
The InChIKey is BYCFOFJMAAAELR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c21-20(22,23)29-17-8-6-16(7-9-17)25-19(28)18(27)24-12-10-15(11-13-26)14-4-2-1-3-5-14/h1-9,15,26H,10-13H2,(H,24,27)(H,25,28)/t15-/m1/s1.
What are the key properties of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide?
N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide has a molecular weight of 410.39 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide is sourced from PubChem (CID 99872932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).