4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide

C16H23FN2O2 — CID 79044526

IUPAC4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide
SMILESCc1cc(F)cc(NC2(C(N)=O)CCOC(C(C)C)C2)c1
InChIInChI=1S/C16H23FN2O2/c1-10(2)14-9-16(15(18)20,4-5-21-14)19-13-7-11(3)6-12(17)8-13/h6-8,10,14,19H,4-5,9H2,1-3H3,(H2,18,20)
InChIKeyFEOQUFANRMBFSD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.61
Rot. Bonds4

About 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide

4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide (PubChem CID 79044526) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide
PubChem CID79044526
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide
SMILESCc1cc(F)cc(NC2(C(N)=O)CCOC(C(C)C)C2)c1
InChIInChI=1S/C16H23FN2O2/c1-10(2)14-9-16(15(18)20,4-5-21-14)19-13-7-11(3)6-12(17)8-13/h6-8,10,14,19H,4-5,9H2,1-3H3,(H2,18,20)
InChIKeyFEOQUFANRMBFSD-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide?
The IUPAC name of 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide (CID 79044526) is 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide?
The canonical SMILES for 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide is Cc1cc(F)cc(NC2(C(N)=O)CCOC(C(C)C)C2)c1.
What is the InChIKey of 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide?
The InChIKey is FEOQUFANRMBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10(2)14-9-16(15(18)20,4-5-21-14)19-13-7-11(3)6-12(17)8-13/h6-8,10,14,19H,4-5,9H2,1-3H3,(H2,18,20).
What are the key properties of 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide?
4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide is sourced from PubChem (CID 79044526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).