N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide

C12H15FN2O2 — CID 44996874

IUPACN-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(2)15-12(17)11(16)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRCKQSCPBFHZXCZ-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.97
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide

N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide (PubChem CID 44996874) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
PubChem CID44996874
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2/c1-8(2)15-12(17)11(16)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyRCKQSCPBFHZXCZ-UHFFFAOYSA-N
XLogP0.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.97
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-methylphenyl)methyl]-N'-propan-2-yloxamide
CID 2271421
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide (CID 44996874) is N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide?
The InChIKey is RCKQSCPBFHZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(2)15-12(17)11(16)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide?
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide has a molecular weight of 238.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 44996874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).