N-chloro-N-[4-(chloroamino)phenyl]acetamide

C8H8Cl2N2O — CID 174326232

IUPACN-chloro-N-[4-(chloroamino)phenyl]acetamide
SMILESCC(=O)N(Cl)c1ccc(NCl)cc1
InChIInChI=1S/C8H8Cl2N2O/c1-6(13)12(10)8-4-2-7(11-9)3-5-8/h2-5,11H,1H3
InChIKeyCPJRCMVWIKWFFL-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.76
Rot. Bonds2

About N-chloro-N-[4-(chloroamino)phenyl]acetamide

N-chloro-N-[4-(chloroamino)phenyl]acetamide (PubChem CID 174326232) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is N-chloro-N-[4-(chloroamino)phenyl]acetamide.

Molecular Properties

Compound NameN-chloro-N-[4-(chloroamino)phenyl]acetamide
PubChem CID174326232
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC NameN-chloro-N-[4-(chloroamino)phenyl]acetamide
SMILESCC(=O)N(Cl)c1ccc(NCl)cc1
InChIInChI=1S/C8H8Cl2N2O/c1-6(13)12(10)8-4-2-7(11-9)3-5-8/h2-5,11H,1H3
InChIKeyCPJRCMVWIKWFFL-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.76
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

N-[4-[acetyl(chloro)amino]phenyl]acetamide
CID 58018072
1-[4-(chloroamino)phenyl]ethanone
CID 140987111
1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
CID 89056981
1-chloro-3-hydroxy-1-phenylurea
CID 88781351
chloromethane;N-chloro-4-methylaniline
CID 174858040
N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
CID 14613
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide
CID 87253093
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113176021
N-(4-fluorophenyl)-N-hydroxyacetamide;N-(4-fluorophenyl)hydroxylamine
CID 161155407

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[4-(chloroamino)phenyl]acetamide?
The IUPAC name of N-chloro-N-[4-(chloroamino)phenyl]acetamide (CID 174326232) is N-chloro-N-[4-(chloroamino)phenyl]acetamide.
What is the SMILES notation for N-chloro-N-[4-(chloroamino)phenyl]acetamide?
The canonical SMILES for N-chloro-N-[4-(chloroamino)phenyl]acetamide is CC(=O)N(Cl)c1ccc(NCl)cc1.
What is the InChIKey of N-chloro-N-[4-(chloroamino)phenyl]acetamide?
The InChIKey is CPJRCMVWIKWFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-6(13)12(10)8-4-2-7(11-9)3-5-8/h2-5,11H,1H3.
What are the key properties of N-chloro-N-[4-(chloroamino)phenyl]acetamide?
N-chloro-N-[4-(chloroamino)phenyl]acetamide has a molecular weight of 219.07 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[4-(chloroamino)phenyl]acetamide is sourced from PubChem (CID 174326232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).