N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide

C10H11ClFN3O2 — CID 107992430

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide
SMILESCN(C/C(N)=N/O)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClFN3O2/c1-15(5-9(13)14-17)10(16)6-2-3-7(11)8(12)4-6/h2-4,17H,5H2,1H3,(H2,13,14)
InChIKeyVYVFYAVSQUORQL-UHFFFAOYSA-N
MW259.67 g/mol
LogP1.30
Rot. Bonds3

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide (PubChem CID 107992430) has the molecular formula C10H11ClFN3O2 and a molecular weight of 259.67 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide
PubChem CID107992430
Molecular FormulaC10H11ClFN3O2
Molecular Weight259.67 g/mol
Exact Mass259.05
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide
SMILESCN(C/C(N)=N/O)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H11ClFN3O2/c1-15(5-9(13)14-17)10(16)6-2-3-7(11)8(12)4-6/h2-4,17H,5H2,1H3,(H2,13,14)
InChIKeyVYVFYAVSQUORQL-UHFFFAOYSA-N
XLogP1.30
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 51.30
H-Bond Donors ≤ 52
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

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880057
N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
CID 76929049
4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 103876616
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
4-chloro-3-fluoro-N-methyl-N-prop-2-ynylbenzamide
CID 100610965
2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
CID 107998136
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 76929094
N-(2-amino-2-hydroxyiminoethyl)-3,4-difluoro-N-propylbenzamide
CID 76927636
(NE)-N-[1-(4-chloro-3-fluorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
CID 170430543
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107992431
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide (CID 107992430) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide is CN(C/C(N)=N/O)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide?
The InChIKey is VYVFYAVSQUORQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O2/c1-15(5-9(13)14-17)10(16)6-2-3-7(11)8(12)4-6/h2-4,17H,5H2,1H3,(H2,13,14).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide has a molecular weight of 259.67 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 107992430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).