N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide

C13H18ClN3O2 — CID 106863360

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
SMILESCCCN(C/C(N)=N/O)C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-3-6-17(8-12(15)16-19)13(18)10-5-4-9(2)7-11(10)14/h4-5,7,19H,3,6,8H2,1-2H3,(H2,15,16)
InChIKeyWFKFXTYDZWMYLM-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.25
Rot. Bonds5

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide (PubChem CID 106863360) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
PubChem CID106863360
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
SMILESCCCN(C/C(N)=N/O)C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-3-6-17(8-12(15)16-19)13(18)10-5-4-9(2)7-11(10)14/h4-5,7,19H,3,6,8H2,1-2H3,(H2,15,16)
InChIKeyWFKFXTYDZWMYLM-UHFFFAOYSA-N
XLogP2.25
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.25
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-(2-amino-2-hydroxyiminoethyl)-2-chloro-4-fluoro-N-propylbenzamide
CID 76927767
N-(2-amino-2-hydroxyiminoethyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 76945669
methyl 2-[(2-chloro-4-methylbenzoyl)-propylamino]acetate
CID 106491024
ethyl 2-[(4-bromo-2-chlorobenzoyl)-propylamino]acetate
CID 61008661
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107099465
N-(2-amino-2-hydroxyiminoethyl)-3,4-difluoro-N-propylbenzamide
CID 76927636
N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide
CID 76927706
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77020847
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60967608

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide (CID 106863360) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide is CCCN(C/C(N)=N/O)C(=O)c1ccc(C)cc1Cl.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide?
The InChIKey is WFKFXTYDZWMYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-6-17(8-12(15)16-19)13(18)10-5-4-9(2)7-11(10)14/h4-5,7,19H,3,6,8H2,1-2H3,(H2,15,16).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 2.25, 5 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]-2-chloro-4-methyl-N-propylbenzamide is sourced from PubChem (CID 106863360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).