N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C18H16ClF3N2O3 — CID 56765511

IUPACN'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O3/c1-10-13(19)3-2-4-14(10)24-17(27)16(26)23-9-15(25)11-5-7-12(8-6-11)18(20,21)22/h2-8,15,25H,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyRMXRRRRCMPZBLT-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.46
Rot. Bonds4

About N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 56765511) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID56765511
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O3/c1-10-13(19)3-2-4-14(10)24-17(27)16(26)23-9-15(25)11-5-7-12(8-6-11)18(20,21)22/h2-8,15,25H,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyRMXRRRRCMPZBLT-UHFFFAOYSA-N
XLogP3.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 56765511) is N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is RMXRRRRCMPZBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c1-10-13(19)3-2-4-14(10)24-17(27)16(26)23-9-15(25)11-5-7-12(8-6-11)18(20,21)22/h2-8,15,25H,9H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 400.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 56765511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).