N'-[(2,4-difluorophenyl)methyl]oxamide

C9H8F2N2O2 — CID 115191832

IUPACN'-[(2,4-difluorophenyl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C9H8F2N2O2/c10-6-2-1-5(7(11)3-6)4-13-9(15)8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyIJGMGXPCUBGFOJ-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.07
Rot. Bonds2

About N'-[(2,4-difluorophenyl)methyl]oxamide

N'-[(2,4-difluorophenyl)methyl]oxamide (PubChem CID 115191832) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is N'-[(2,4-difluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2,4-difluorophenyl)methyl]oxamide
PubChem CID115191832
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC NameN'-[(2,4-difluorophenyl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C9H8F2N2O2/c10-6-2-1-5(7(11)3-6)4-13-9(15)8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyIJGMGXPCUBGFOJ-UHFFFAOYSA-N
XLogP0.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
(2,4-difluorophenyl)methylthiourea;hydrochloride
CID 87521044
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
1-cyano-N-[(2,4-difluorophenyl)methyl]formamide
CID 115172177
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-amino-N-[(2,4-difluorophenyl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 55053279
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
2-amino-N-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 82237556
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
1-amino-3-[(2,4-difluorophenyl)methyl]thiourea
CID 51000201
3-[(2,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115598131

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-difluorophenyl)methyl]oxamide?
The IUPAC name of N'-[(2,4-difluorophenyl)methyl]oxamide (CID 115191832) is N'-[(2,4-difluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2,4-difluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[(2,4-difluorophenyl)methyl]oxamide is NC(=O)C(=O)NCc1ccc(F)cc1F.
What is the InChIKey of N'-[(2,4-difluorophenyl)methyl]oxamide?
The InChIKey is IJGMGXPCUBGFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c10-6-2-1-5(7(11)3-6)4-13-9(15)8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15).
What are the key properties of N'-[(2,4-difluorophenyl)methyl]oxamide?
N'-[(2,4-difluorophenyl)methyl]oxamide has a molecular weight of 214.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-difluorophenyl)methyl]oxamide is sourced from PubChem (CID 115191832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).