N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide

C16H21FN2O2 — CID 7585166

IUPACN-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-11-8-9-13(10-14(11)17)19-16(21)15(20)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyVZSUKTLHMWZYDC-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.91
Rot. Bonds2

About N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide

N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide (PubChem CID 7585166) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
PubChem CID7585166
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1F
InChIInChI=1S/C16H21FN2O2/c1-11-8-9-13(10-14(11)17)19-16(21)15(20)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyVZSUKTLHMWZYDC-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.91
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'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
1-(3-fluoro-4-methylphenyl)-3-piperidin-4-ylurea;hydrochloride
CID 165429684
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
CID 7585173
N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
CID 18588616
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide?
The IUPAC name of N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide (CID 7585166) is N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1F.
What is the InChIKey of N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide?
The InChIKey is VZSUKTLHMWZYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11-8-9-13(10-14(11)17)19-16(21)15(20)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide?
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide has a molecular weight of 292.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide is sourced from PubChem (CID 7585166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).