chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide

C11H14ClN2O2- — CID 59535491

IUPACchloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
SMILESO=C(CCC[N-]Cl)NOCc1ccccc1
InChIInChI=1S/C11H14ClN2O2/c12-13-8-4-7-11(15)14-16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)/q-1
InChIKeyZRUNYUJEAAALDU-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.54
Rot. Bonds7

About chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide

chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide (PubChem CID 59535491) has the molecular formula C11H14ClN2O2- and a molecular weight of 241.70 g/mol. Its IUPAC name is chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide.

Molecular Properties

Compound Namechloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
PubChem CID59535491
Molecular FormulaC11H14ClN2O2-
Molecular Weight241.70 g/mol
Exact Mass241.07
IUPAC Namechloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
SMILESO=C(CCC[N-]Cl)NOCc1ccccc1
InChIInChI=1S/C11H14ClN2O2/c12-13-8-4-7-11(15)14-16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)/q-1
InChIKeyZRUNYUJEAAALDU-UHFFFAOYSA-N
XLogP2.54
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
CID 59535535
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
N-phenylmethoxyhexanamide
CID 60717350
7-amino-N-phenylmethoxyheptanamide
CID 59535540
[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
CID 59535547
[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
CID 59535539
8-amino-N-phenylmethoxyoctanamide;ethane;ethene
CID 143768165
4-amino-N-phenylmethoxypentanamide
CID 64974762
3-(2-aminoethoxy)-N-phenylmethoxypropanamide
CID 130524558
tert-butyl N-[4-oxo-4-(phenylmethoxyamino)butyl]carbamate
CID 9227591
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylic acid;chloro-[8-oxo-8-(phenylmethoxyamino)octyl]azanide;N-[8-oxo-8-(phenylmethoxyamino)octyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxamide
CID 157339238

Frequently Asked Questions

What is the IUPAC name of chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide?
The IUPAC name of chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide (CID 59535491) is chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide.
What is the SMILES notation for chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide?
The canonical SMILES for chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide is O=C(CCC[N-]Cl)NOCc1ccccc1.
What is the InChIKey of chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide?
The InChIKey is ZRUNYUJEAAALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN2O2/c12-13-8-4-7-11(15)14-16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,14,15)/q-1.
What are the key properties of chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide?
chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide has a molecular weight of 241.70 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide is sourced from PubChem (CID 59535491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).