5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid

C16H13ClFNO4S — CID 119183890

IUPAC5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)s1
InChIInChI=1S/C16H13ClFNO4S/c17-10-7-9(1-2-11(10)18)12-8-19(5-6-23-12)15(20)13-3-4-14(24-13)16(21)22/h1-4,7,12H,5-6,8H2,(H,21,22)
InChIKeyZRAHYYGBJQIFQL-UHFFFAOYSA-N
MW369.80 g/mol
LogP3.45
Rot. Bonds3

About 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid

5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid (PubChem CID 119183890) has the molecular formula C16H13ClFNO4S and a molecular weight of 369.80 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
PubChem CID119183890
Molecular FormulaC16H13ClFNO4S
Molecular Weight369.80 g/mol
Exact Mass369.02
IUPAC Name5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)s1
InChIInChI=1S/C16H13ClFNO4S/c17-10-7-9(1-2-11(10)18)12-8-19(5-6-23-12)15(20)13-3-4-14(24-13)16(21)22/h1-4,7,12H,5-6,8H2,(H,21,22)
InChIKeyZRAHYYGBJQIFQL-UHFFFAOYSA-N
XLogP3.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 146123039
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315238
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
(3-aminopyrazin-2-yl)-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119110800
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 119769224
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
(2S)-2-amino-1-[(2R)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-3,3-dimethylbutan-1-one
CID 99849922
1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 119042146
N-[4-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166413641

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid (CID 119183890) is 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCOC(c3ccc(F)c(Cl)c3)C2)s1.
What is the InChIKey of 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is ZRAHYYGBJQIFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO4S/c17-10-7-9(1-2-11(10)18)12-8-19(5-6-23-12)15(20)13-3-4-14(24-13)16(21)22/h1-4,7,12H,5-6,8H2,(H,21,22).
What are the key properties of 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid?
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 369.80 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119183890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).