N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide

C19H21FN2O2 — CID 108502509

IUPACN'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-3-6-14-9-11-16(12-10-14)22-19(24)18(23)21-13-15-7-4-5-8-17(15)20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNYPDDSSDUYVLEK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.42
Rot. Bonds6

About N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide

N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide (PubChem CID 108502509) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide
PubChem CID108502509
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-3-6-14-9-11-16(12-10-14)22-19(24)18(23)21-13-15-7-4-5-8-17(15)20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNYPDDSSDUYVLEK-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.42
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

N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
2-(benzylamino)-N-(4-butylphenyl)-2-sulfanylideneacetamide
CID 4005659
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 38157936
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
3-butyl-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 175327917
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
N-[(2-fluorophenyl)methyl]-N'-(2-hydroxyphenyl)oxamide
CID 108514358

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide (CID 108502509) is N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide is CCCCc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is NYPDDSSDUYVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-3-6-14-9-11-16(12-10-14)22-19(24)18(23)21-13-15-7-4-5-8-17(15)20/h4-5,7-12H,2-3,6,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide?
N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 328.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108502509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).