N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

C16H21FN2O — CID 170655934

IUPACN'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)C2CCC2)cc1F
InChIInChI=1S/C16H21FN2O/c1-4-19(3)10-18-15-8-11(2)13(9-14(15)17)16(20)12-6-5-7-12/h8-10,12H,4-7H2,1-3H3/b18-10+
InChIKeyZKFPPRZWRRAOJP-VCHYOVAHSA-N
MW276.36 g/mol
LogP3.73
Rot. Bonds5

About N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 170655934) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID170655934
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC NameN'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)C2CCC2)cc1F
InChIInChI=1S/C16H21FN2O/c1-4-19(3)10-18-15-8-11(2)13(9-14(15)17)16(20)12-6-5-7-12/h8-10,12H,4-7H2,1-3H3/b18-10+
InChIKeyZKFPPRZWRRAOJP-VCHYOVAHSA-N
XLogP3.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 170655934) is N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C(=O)C2CCC2)cc1F.
What is the InChIKey of N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is ZKFPPRZWRRAOJP-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-4-19(3)10-18-15-8-11(2)13(9-14(15)17)16(20)12-6-5-7-12/h8-10,12H,4-7H2,1-3H3/b18-10+.
What are the key properties of N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 276.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(cyclobutanecarbonyl)-2-fluoro-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 170655934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).