4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide

C14H16FN3O2 — CID 66250036

IUPAC4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H16FN3O2/c1-8-10(15)3-9(5-16)4-11(8)18-13(19)14(2)7-20-6-12(14)17/h3-4,12H,6-7,17H2,1-2H3,(H,18,19)
InChIKeyMDUOCVPBKJHKTC-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66250036) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
PubChem CID66250036
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)C1(C)COCC1N
InChIInChI=1S/C14H16FN3O2/c1-8-10(15)3-9(5-16)4-11(8)18-13(19)14(2)7-20-6-12(14)17/h3-4,12H,6-7,17H2,1-2H3,(H,18,19)
InChIKeyMDUOCVPBKJHKTC-UHFFFAOYSA-N
XLogP1.31
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60854529
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CID 61178263
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CID 61214046
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CID 61276767
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CID 61364055
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CID 62316309

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide (CID 66250036) is 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide is Cc1c(F)cc(C#N)cc1NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is MDUOCVPBKJHKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-10(15)3-9(5-16)4-11(8)18-13(19)14(2)7-20-6-12(14)17/h3-4,12H,6-7,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).