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

C12H15FN2O2 — CID 47147961

IUPACN-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
SMILESCc1cc(F)ccc1NC(=O)C(=O)NC(C)C
InChIInChI=1S/C12H15FN2O2/c1-7(2)14-11(16)12(17)15-10-5-4-9(13)6-8(10)3/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyQBJDYMACNKTKNS-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.60
Rot. Bonds2

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

N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide (PubChem CID 47147961) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
PubChem CID47147961
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
SMILESCc1cc(F)ccc1NC(=O)C(=O)NC(C)C
InChIInChI=1S/C12H15FN2O2/c1-7(2)14-11(16)12(17)15-10-5-4-9(13)6-8(10)3/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyQBJDYMACNKTKNS-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'}

Analyze N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95299337
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N-(4-fluoro-2-methylphenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532470
ethyl 2-(4-fluoro-2-methylanilino)-2-oxoacetate
CID 60893380
N'-(4-fluoro-2-methylphenyl)-N-prop-2-enyloxamide
CID 47148094
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(4-fluoro-2-methylphenyl)-3-iodourea
CID 135276363
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide (CID 47147961) is N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide is Cc1cc(F)ccc1NC(=O)C(=O)NC(C)C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide?
The InChIKey is QBJDYMACNKTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7(2)14-11(16)12(17)15-10-5-4-9(13)6-8(10)3/h4-7H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide?
N-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 47147961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).