N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C17H14ClF3N2O3 — CID 95368316

IUPACN'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESO=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H14ClF3N2O3/c18-12-3-1-2-4-13(12)23-16(26)15(25)22-9-14(24)10-5-7-11(8-6-10)17(19,20)21/h1-8,14,24H,9H2,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyMBTQZJOYSQQHME-CQSZACIVSA-N
MW386.76 g/mol
LogP3.15
Rot. Bonds4

About N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 95368316) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID95368316
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC NameN'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESO=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H14ClF3N2O3/c18-12-3-1-2-4-13(12)23-16(26)15(25)22-9-14(24)10-5-7-11(8-6-10)17(19,20)21/h1-8,14,24H,9H2,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyMBTQZJOYSQQHME-CQSZACIVSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60898565
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 97040699
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 95368322
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95368340
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 95368316) is N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is MBTQZJOYSQQHME-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c18-12-3-1-2-4-13(12)23-16(26)15(25)22-9-14(24)10-5-7-11(8-6-10)17(19,20)21/h1-8,14,24H,9H2,(H,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 386.76 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 95368316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).