chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide

C12H16ClN2O2- — CID 59535535

IUPACchloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
SMILESO=C(CCCC[N-]Cl)NOCc1ccccc1
InChIInChI=1S/C12H16ClN2O2/c13-14-9-5-4-8-12(16)15-17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,16)/q-1
InChIKeyWYYWUGNCIONSIE-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.93
Rot. Bonds8

About chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide

chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide (PubChem CID 59535535) has the molecular formula C12H16ClN2O2- and a molecular weight of 255.72 g/mol. Its IUPAC name is chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide.

Molecular Properties

Compound Namechloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
PubChem CID59535535
Molecular FormulaC12H16ClN2O2-
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Namechloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
SMILESO=C(CCCC[N-]Cl)NOCc1ccccc1
InChIInChI=1S/C12H16ClN2O2/c13-14-9-5-4-8-12(16)15-17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,16)/q-1
InChIKeyWYYWUGNCIONSIE-UHFFFAOYSA-N
XLogP2.93
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.93
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-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
CID 59535491
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
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
N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide
CID 23900156
4-amino-N-phenylmethoxypentanamide
CID 64974762
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553

Frequently Asked Questions

What is the IUPAC name of chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide?
The IUPAC name of chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide (CID 59535535) is chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide.
What is the SMILES notation for chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide?
The canonical SMILES for chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide is O=C(CCCC[N-]Cl)NOCc1ccccc1.
What is the InChIKey of chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide?
The InChIKey is WYYWUGNCIONSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN2O2/c13-14-9-5-4-8-12(16)15-17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,15,16)/q-1.
What are the key properties of chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide?
chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide has a molecular weight of 255.72 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide is sourced from PubChem (CID 59535535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).