4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide

C13H16FN3O3 — CID 66248653

IUPAC4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(C(N)=O)c2)COCC1N
InChIInChI=1S/C13H16FN3O3/c1-13(6-20-5-10(13)15)12(19)17-7-2-3-9(14)8(4-7)11(16)18/h2-4,10H,5-6,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDDHZOINOASBQHS-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.23
Rot. Bonds3

About 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide

4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide (PubChem CID 66248653) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
PubChem CID66248653
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(C(N)=O)c2)COCC1N
InChIInChI=1S/C13H16FN3O3/c1-13(6-20-5-10(13)15)12(19)17-7-2-3-9(14)8(4-7)11(16)18/h2-4,10H,5-6,15H2,1H3,(H2,16,18)(H,17,19)
InChIKeyDDHZOINOASBQHS-UHFFFAOYSA-N
XLogP0.23
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methyloxolane-3-carboxamide
CID 66250237
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-(4-bromo-3-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 82868045
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-(4-chloro-3-nitrophenyl)-3-methyloxolane-3-carboxamide
CID 66250811
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 116699685

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide (CID 66248653) is 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)Nc2ccc(F)c(C(N)=O)c2)COCC1N.
What is the InChIKey of 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide?
The InChIKey is DDHZOINOASBQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-13(6-20-5-10(13)15)12(19)17-7-2-3-9(14)8(4-7)11(16)18/h2-4,10H,5-6,15H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66248653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).