N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide

C10H12ClN3O2 — CID 81325204

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC/C(N)=N/O)c1
InChIInChI=1S/C10H12ClN3O2/c1-6-2-7(4-8(11)3-6)10(15)13-5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyWYJXMXZTYHEPQZ-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.12
Rot. Bonds3

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide (PubChem CID 81325204) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide
PubChem CID81325204
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC/C(N)=N/O)c1
InChIInChI=1S/C10H12ClN3O2/c1-6-2-7(4-8(11)3-6)10(15)13-5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyWYJXMXZTYHEPQZ-UHFFFAOYSA-N
XLogP1.12
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572
3-chloro-N-(2-chloropropyl)-5-methylbenzamide
CID 114296400
N-but-3-ynyl-3-chloro-5-methylbenzamide
CID 81002293
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-5-methylbenzamide
CID 114313048
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
CID 103843375
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
N-(2-amino-2-hydroxyiminoethyl)-5-bromothiophene-3-carboxamide
CID 107965115
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671942

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide (CID 81325204) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC/C(N)=N/O)c1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide?
The InChIKey is WYJXMXZTYHEPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6-2-7(4-8(11)3-6)10(15)13-5-9(12)14-16/h2-4,16H,5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide has a molecular weight of 241.68 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-5-methylbenzamide is sourced from PubChem (CID 81325204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).