(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone

C11H8ClNOS — CID 80531807

IUPAC(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1cccc(C(=O)c2sccc2Cl)c1
InChIInChI=1S/C11H8ClNOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6H,13H2
InChIKeyAJJZCFCQDXNQOS-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.21
Rot. Bonds2

About (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone

(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 80531807) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID80531807
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESNc1cccc(C(=O)c2sccc2Cl)c1
InChIInChI=1S/C11H8ClNOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6H,13H2
InChIKeyAJJZCFCQDXNQOS-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
3-(3-aminophenyl)-1-(3-chlorothiophen-2-yl)propan-1-one
CID 107361538
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone (CID 80531807) is (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone is Nc1cccc(C(=O)c2sccc2Cl)c1.
What is the InChIKey of (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is AJJZCFCQDXNQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6H,13H2.
What are the key properties of (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone?
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 237.71 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80531807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).