2-(chloroamino)-2-phenylacetamide

C8H9ClN2O — CID 89152727

IUPAC2-(chloroamino)-2-phenylacetamide
SMILESNC(=O)C(NCl)c1ccccc1
InChIInChI=1S/C8H9ClN2O/c9-11-7(8(10)12)6-4-2-1-3-5-6/h1-5,7,11H,(H2,10,12)
InChIKeyZVUJSCIGMVDCFU-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.96
Rot. Bonds3

About 2-(chloroamino)-2-phenylacetamide

2-(chloroamino)-2-phenylacetamide (PubChem CID 89152727) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-(chloroamino)-2-phenylacetamide.

Molecular Properties

Compound Name2-(chloroamino)-2-phenylacetamide
PubChem CID89152727
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-(chloroamino)-2-phenylacetamide
SMILESNC(=O)C(NCl)c1ccccc1
InChIInChI=1S/C8H9ClN2O/c9-11-7(8(10)12)6-4-2-1-3-5-6/h1-5,7,11H,(H2,10,12)
InChIKeyZVUJSCIGMVDCFU-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
2-anilino-2-phenylacetamide;ethane
CID 142824395
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
2-[(2-oxo-2-phenylacetyl)amino]-2-phenylacetamide
CID 13258038
(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
(2S)-2-[(2-chlorophenyl)methylamino]-2-phenylacetamide
CID 33401995
2-hydrazinyl-2-phenylacetyl chloride
CID 55280591
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-2-phenylacetamide?
The IUPAC name of 2-(chloroamino)-2-phenylacetamide (CID 89152727) is 2-(chloroamino)-2-phenylacetamide.
What is the SMILES notation for 2-(chloroamino)-2-phenylacetamide?
The canonical SMILES for 2-(chloroamino)-2-phenylacetamide is NC(=O)C(NCl)c1ccccc1.
What is the InChIKey of 2-(chloroamino)-2-phenylacetamide?
The InChIKey is ZVUJSCIGMVDCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-11-7(8(10)12)6-4-2-1-3-5-6/h1-5,7,11H,(H2,10,12).
What are the key properties of 2-(chloroamino)-2-phenylacetamide?
2-(chloroamino)-2-phenylacetamide has a molecular weight of 184.63 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-2-phenylacetamide is sourced from PubChem (CID 89152727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).