N'-[(3-chloro-4-fluorophenyl)methyl]oxamide

C9H8ClFN2O2 — CID 115191859

IUPACN'-[(3-chloro-4-fluorophenyl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFN2O2/c10-6-3-5(1-2-7(6)11)4-13-9(15)8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyZVVHRXKHGGUZHC-UHFFFAOYSA-N
MW230.63 g/mol
LogP0.58
Rot. Bonds2

About N'-[(3-chloro-4-fluorophenyl)methyl]oxamide

N'-[(3-chloro-4-fluorophenyl)methyl]oxamide (PubChem CID 115191859) has the molecular formula C9H8ClFN2O2 and a molecular weight of 230.63 g/mol. Its IUPAC name is N'-[(3-chloro-4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(3-chloro-4-fluorophenyl)methyl]oxamide
PubChem CID115191859
Molecular FormulaC9H8ClFN2O2
Molecular Weight230.63 g/mol
Exact Mass230.03
IUPAC NameN'-[(3-chloro-4-fluorophenyl)methyl]oxamide
SMILESNC(=O)C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFN2O2/c10-6-3-5(1-2-7(6)11)4-13-9(15)8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15)
InChIKeyZVVHRXKHGGUZHC-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 50.58
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

ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoacetate
CID 62532273
N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
CID 115166258
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
CID 79349579
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 62539285
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[(3-chloro-4-fluorophenyl)methyl]oxamide (CID 115191859) is N'-[(3-chloro-4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[(3-chloro-4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[(3-chloro-4-fluorophenyl)methyl]oxamide is NC(=O)C(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-[(3-chloro-4-fluorophenyl)methyl]oxamide?
The InChIKey is ZVVHRXKHGGUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O2/c10-6-3-5(1-2-7(6)11)4-13-9(15)8(12)14/h1-3H,4H2,(H2,12,14)(H,13,15).
What are the key properties of N'-[(3-chloro-4-fluorophenyl)methyl]oxamide?
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide has a molecular weight of 230.63 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 115191859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).