[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone

C14H12ClNO2 — CID 145356956

IUPAC[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
SMILESCONc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO2/c1-18-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyRPKAKDILZODLTR-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.54
Rot. Bonds4

About [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone

[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone (PubChem CID 145356956) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
PubChem CID145356956
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
SMILESCONc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO2/c1-18-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyRPKAKDILZODLTR-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
[5-chloro-2-(cyclopropylamino)phenyl]-phenylmethanone
CID 14598884
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
CID 526490
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
2-(2-benzoyl-4-chloroanilino)acetate
CID 4162627
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
[2-(3-amino-2,5-dimethoxyanilino)-5-chlorophenyl]-phenylmethanone
CID 170451906
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
CID 139227476

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone?
The IUPAC name of [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone (CID 145356956) is [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone.
What is the SMILES notation for [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone?
The canonical SMILES for [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone is CONc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone?
The InChIKey is RPKAKDILZODLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone?
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone has a molecular weight of 261.71 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methoxyamino)phenyl]-phenylmethanone is sourced from PubChem (CID 145356956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).