N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide

C16H10F6N2O2 — CID 126500408

IUPACN,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide
SMILESO=C(NCc1cc(F)c(F)c(F)c1)C(=O)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H10F6N2O2/c17-9-1-7(2-10(18)13(9)21)5-23-15(25)16(26)24-6-8-3-11(19)14(22)12(20)4-8/h1-4H,5-6H2,(H,23,25)(H,24,26)
InChIKeyIIQKPIIUXJHISH-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.45
Rot. Bonds4

About N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide

N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide (PubChem CID 126500408) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide
PubChem CID126500408
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC NameN,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide
SMILESO=C(NCc1cc(F)c(F)c(F)c1)C(=O)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H10F6N2O2/c17-9-1-7(2-10(18)13(9)21)5-23-15(25)16(26)24-6-8-3-11(19)14(22)12(20)4-8/h1-4H,5-6H2,(H,23,25)(H,24,26)
InChIKeyIIQKPIIUXJHISH-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
2-[(3,4,5-trifluorophenyl)methylamino]acetic acid
CID 63050677
N-[(3,4,5-trifluorophenyl)methyl]thiohydroxylamine
CID 155699615
2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide
CID 174865579
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 94999647
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
(2S)-3-methyl-2-[(3,4,5-trifluorophenyl)methylamino]butanoic acid
CID 120510673
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2,3,5,6-tetrafluorophenyl)methyl]oxamide
CID 166184902
ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540
2-ethyl-2-[[(3,4,5-trifluorophenyl)methylamino]methyl]butanoic acid
CID 122129000
1-pyrrolidin-1-yl-2-[(3,4,5-trifluorophenyl)methylamino]ethanone
CID 112689137

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide?
The IUPAC name of N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide (CID 126500408) is N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide.
What is the SMILES notation for N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide?
The canonical SMILES for N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide is O=C(NCc1cc(F)c(F)c(F)c1)C(=O)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide?
The InChIKey is IIQKPIIUXJHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c17-9-1-7(2-10(18)13(9)21)5-23-15(25)16(26)24-6-8-3-11(19)14(22)12(20)4-8/h1-4H,5-6H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide?
N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide has a molecular weight of 376.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide is sourced from PubChem (CID 126500408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).