1-[2-(chloroamino)-3-methoxyphenyl]ethanone

C9H10ClNO2 — CID 174727261

IUPAC1-[2-(chloroamino)-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1NCl
InChIInChI=1S/C9H10ClNO2/c1-6(12)7-4-3-5-8(13-2)9(7)11-10/h3-5,11H,1-2H3
InChIKeyUROXSWOIDJFHPH-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.46
Rot. Bonds3

About 1-[2-(chloroamino)-3-methoxyphenyl]ethanone

1-[2-(chloroamino)-3-methoxyphenyl]ethanone (PubChem CID 174727261) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-[2-(chloroamino)-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(chloroamino)-3-methoxyphenyl]ethanone
PubChem CID174727261
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name1-[2-(chloroamino)-3-methoxyphenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1NCl
InChIInChI=1S/C9H10ClNO2/c1-6(12)7-4-3-5-8(13-2)9(7)11-10/h3-5,11H,1-2H3
InChIKeyUROXSWOIDJFHPH-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
1-[2-(chloroamino)-3-methylphenyl]ethanone
CID 141131299
N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane
CID 91562897
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
1-(3-methoxy-2-methylsulfanylphenyl)ethanone
CID 117286399
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358
methyl 3-methoxy-2-methylbenzoate
CID 12527049
2-acetyl-N-hydroxy-3-methoxybenzamide
CID 125496951
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
methyl 2-chloro-3-methoxybenzoate
CID 10262208
1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
CID 70285532

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloroamino)-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(chloroamino)-3-methoxyphenyl]ethanone (CID 174727261) is 1-[2-(chloroamino)-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(chloroamino)-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(chloroamino)-3-methoxyphenyl]ethanone is COc1cccc(C(C)=O)c1NCl.
What is the InChIKey of 1-[2-(chloroamino)-3-methoxyphenyl]ethanone?
The InChIKey is UROXSWOIDJFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(12)7-4-3-5-8(13-2)9(7)11-10/h3-5,11H,1-2H3.
What are the key properties of 1-[2-(chloroamino)-3-methoxyphenyl]ethanone?
1-[2-(chloroamino)-3-methoxyphenyl]ethanone has a molecular weight of 199.64 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloroamino)-3-methoxyphenyl]ethanone is sourced from PubChem (CID 174727261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).