1-[4-(chloroamino)phenyl]ethanone

C8H8ClNO — CID 140987111

IUPAC1-[4-(chloroamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCl)cc1
InChIInChI=1S/C8H8ClNO/c1-6(11)7-2-4-8(10-9)5-3-7/h2-5,10H,1H3
InChIKeyIKYQZFPRVFNIPU-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.45
Rot. Bonds2

About 1-[4-(chloroamino)phenyl]ethanone

1-[4-(chloroamino)phenyl]ethanone (PubChem CID 140987111) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-[4-(chloroamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(chloroamino)phenyl]ethanone
PubChem CID140987111
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-[4-(chloroamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCl)cc1
InChIInChI=1S/C8H8ClNO/c1-6(11)7-2-4-8(10-9)5-3-7/h2-5,10H,1H3
InChIKeyIKYQZFPRVFNIPU-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
1-(4-acetylphenyl)ethanone;methane
CID 159515104
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-[4-(propylamino)phenyl]ethanone
CID 7304598
N-chloro-N-[4-(chloroamino)phenyl]acetamide
CID 174326232
1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone
CID 12781230
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-acetylphenyl)-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3667444
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-acetyl(11C)benzoic acid
CID 11205952

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloroamino)phenyl]ethanone?
The IUPAC name of 1-[4-(chloroamino)phenyl]ethanone (CID 140987111) is 1-[4-(chloroamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(chloroamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(chloroamino)phenyl]ethanone is CC(=O)c1ccc(NCl)cc1.
What is the InChIKey of 1-[4-(chloroamino)phenyl]ethanone?
The InChIKey is IKYQZFPRVFNIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6(11)7-2-4-8(10-9)5-3-7/h2-5,10H,1H3.
What are the key properties of 1-[4-(chloroamino)phenyl]ethanone?
1-[4-(chloroamino)phenyl]ethanone has a molecular weight of 169.61 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloroamino)phenyl]ethanone is sourced from PubChem (CID 140987111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).