N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide

C12H15FN2O2 — CID 7585173

IUPACN-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)C)cc1F
InChIInChI=1S/C12H15FN2O2/c1-7(2)14-11(16)12(17)15-9-5-4-8(3)10(13)6-9/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyVBHXICSFSLHMRY-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.60
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide

N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide (PubChem CID 7585173) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
PubChem CID7585173
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)C)cc1F
InChIInChI=1S/C12H15FN2O2/c1-7(2)14-11(16)12(17)15-9-5-4-8(3)10(13)6-9/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyVBHXICSFSLHMRY-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.60
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-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
CID 142913478
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N-[(2,4-dimethylphenyl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 60551809
3-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668647
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
3-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66136925

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide (CID 7585173) is N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide is Cc1ccc(NC(=O)C(=O)NC(C)C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide?
The InChIKey is VBHXICSFSLHMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7(2)14-11(16)12(17)15-9-5-4-8(3)10(13)6-9/h4-7H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide?
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide has a molecular weight of 238.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 7585173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).