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

C16H12F4N2O2 — CID 126500404

IUPACN,N'-bis[(3,4-difluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F4N2O2/c17-11-3-1-9(5-13(11)19)7-21-15(23)16(24)22-8-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyBQUXNKONOKKFFR-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.18
Rot. Bonds4

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

N,N'-bis[(3,4-difluorophenyl)methyl]oxamide (PubChem CID 126500404) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is N,N'-bis[(3,4-difluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(3,4-difluorophenyl)methyl]oxamide
PubChem CID126500404
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC NameN,N'-bis[(3,4-difluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F4N2O2/c17-11-3-1-9(5-13(11)19)7-21-15(23)16(24)22-8-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyBQUXNKONOKKFFR-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis[(3,4-difluorophenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-difluorophenyl)methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992890
N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide
CID 126500408
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
N-[(3,4-difluorophenyl)methyl]-2-isocyanoacetamide
CID 59099086
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
3-[(3,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115593148
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
ethyl 3-[(3,4-difluorophenyl)methylamino]-3-oxopropanoate
CID 110474199

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3,4-difluorophenyl)methyl]oxamide?
The IUPAC name of N,N'-bis[(3,4-difluorophenyl)methyl]oxamide (CID 126500404) is N,N'-bis[(3,4-difluorophenyl)methyl]oxamide.
What is the SMILES notation for N,N'-bis[(3,4-difluorophenyl)methyl]oxamide?
The canonical SMILES for N,N'-bis[(3,4-difluorophenyl)methyl]oxamide is O=C(NCc1ccc(F)c(F)c1)C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of N,N'-bis[(3,4-difluorophenyl)methyl]oxamide?
The InChIKey is BQUXNKONOKKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-11-3-1-9(5-13(11)19)7-21-15(23)16(24)22-8-10-2-4-12(18)14(20)6-10/h1-6H,7-8H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis[(3,4-difluorophenyl)methyl]oxamide?
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide has a molecular weight of 340.28 g/mol, XLogP of 2.18, 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-difluorophenyl)methyl]oxamide is sourced from PubChem (CID 126500404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).