2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide

C15H18Cl2N2O2 — CID 155755176

IUPAC2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
SMILESO=C(CNCl)NC[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H18Cl2N2O2/c16-12-6-2-1-5-11(12)15(8-4-3-7-13(15)20)10-18-14(21)9-19-17/h1-2,5-6,19H,3-4,7-10H2,(H,18,21)/t15-/m1/s1
InChIKeyGVTJPXSHOSAIDC-OAHLLOKOSA-N
MW329.23 g/mol
LogP2.58
Rot. Bonds5

About 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide

2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide (PubChem CID 155755176) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
PubChem CID155755176
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
SMILESO=C(CNCl)NC[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H18Cl2N2O2/c16-12-6-2-1-5-11(12)15(8-4-3-7-13(15)20)10-18-14(21)9-19-17/h1-2,5-6,19H,3-4,7-10H2,(H,18,21)/t15-/m1/s1
InChIKeyGVTJPXSHOSAIDC-OAHLLOKOSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
The IUPAC name of 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide (CID 155755176) is 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide is O=C(CNCl)NC[C@@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
The InChIKey is GVTJPXSHOSAIDC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-12-6-2-1-5-11(12)15(8-4-3-7-13(15)20)10-18-14(21)9-19-17/h1-2,5-6,19H,3-4,7-10H2,(H,18,21)/t15-/m1/s1.
What are the key properties of 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide has a molecular weight of 329.23 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide is sourced from PubChem (CID 155755176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).