(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide

C14H17FN2O4 — CID 97244740

IUPAC(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2COCCN2C(C)=O)cc1F
InChIInChI=1S/C14H17FN2O4/c1-9(18)17-5-6-21-8-12(17)14(19)16-10-3-4-13(20-2)11(15)7-10/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyOGGZOGMOBMEYTK-LBPRGKRZSA-N
MW296.30 g/mol
LogP1.02
Rot. Bonds3

About (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide

(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide (PubChem CID 97244740) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide
PubChem CID97244740
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2COCCN2C(C)=O)cc1F
InChIInChI=1S/C14H17FN2O4/c1-9(18)17-5-6-21-8-12(17)14(19)16-10-3-4-13(20-2)11(15)7-10/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyOGGZOGMOBMEYTK-LBPRGKRZSA-N
XLogP1.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide (CID 97244740) is (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2COCCN2C(C)=O)cc1F.
What is the InChIKey of (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide?
The InChIKey is OGGZOGMOBMEYTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-9(18)17-5-6-21-8-12(17)14(19)16-10-3-4-13(20-2)11(15)7-10/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide?
(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 97244740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).