1-[2-chloro-3-(methylamino)phenyl]ethanone

C9H10ClNO — CID 142085383

IUPAC1-[2-chloro-3-(methylamino)phenyl]ethanone
SMILESCNc1cccc(C(C)=O)c1Cl
InChIInChI=1S/C9H10ClNO/c1-6(12)7-4-3-5-8(11-2)9(7)10/h3-5,11H,1-2H3
InChIKeyHVKNJSUHRKSLSU-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.58
Rot. Bonds2

About 1-[2-chloro-3-(methylamino)phenyl]ethanone

1-[2-chloro-3-(methylamino)phenyl]ethanone (PubChem CID 142085383) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-[2-chloro-3-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-3-(methylamino)phenyl]ethanone
PubChem CID142085383
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-[2-chloro-3-(methylamino)phenyl]ethanone
SMILESCNc1cccc(C(C)=O)c1Cl
InChIInChI=1S/C9H10ClNO/c1-6(12)7-4-3-5-8(11-2)9(7)10/h3-5,11H,1-2H3
InChIKeyHVKNJSUHRKSLSU-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-3-(methylamino)phenyl]ethanone (CID 142085383) is 1-[2-chloro-3-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-3-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-3-(methylamino)phenyl]ethanone is CNc1cccc(C(C)=O)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(methylamino)phenyl]ethanone?
The InChIKey is HVKNJSUHRKSLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(12)7-4-3-5-8(11-2)9(7)10/h3-5,11H,1-2H3.
What are the key properties of 1-[2-chloro-3-(methylamino)phenyl]ethanone?
1-[2-chloro-3-(methylamino)phenyl]ethanone has a molecular weight of 183.64 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(methylamino)phenyl]ethanone is sourced from PubChem (CID 142085383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).