(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone

C11H7ClFNOS — CID 116597564

IUPAC(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
SMILESNc1c(F)cccc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClFNOS/c12-9-5-4-8(16-9)11(15)6-2-1-3-7(13)10(6)14/h1-5H,14H2
InChIKeyUBHSCMJWMRSSSV-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.35
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone

(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 116597564) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
PubChem CID116597564
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
SMILESNc1c(F)cccc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClFNOS/c12-9-5-4-8(16-9)11(15)6-2-1-3-7(13)10(6)14/h1-5H,14H2
InChIKeyUBHSCMJWMRSSSV-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
2-(2-amino-3-fluorophenyl)-1-(2,6-dichlorophenyl)-2-iminoethanone
CID 123720309
(5-aminothiophen-2-yl)-(2-chlorophenyl)methanone
CID 22152229
(2-amino-3-fluorophenyl)-pyrimidin-5-ylmethanone
CID 116597591
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146659
(2-amino-3,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methanone
CID 112606193
2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone
CID 115790097
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 55051059

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone (CID 116597564) is (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone is Nc1c(F)cccc1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is UBHSCMJWMRSSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c12-9-5-4-8(16-9)11(15)6-2-1-3-7(13)10(6)14/h1-5H,14H2.
What are the key properties of (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone?
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 255.70 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 116597564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).