(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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Related Compounds

tert-butyl (3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoyl]morpholine-4-carboxylate
CID 99811573
4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126795330
(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 97329393
N-[(2S)-1-(3-fluoro-4-methoxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175589
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
1-acetyl-N-[3-fluoro-4-(1-phenylpiperidin-4-yl)oxyphenyl]piperidine-2-carboxamide
CID 137455203
2-amino-N-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64822720
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
N-(3-fluoro-4-methoxyphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187884

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).