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

C12H16ClN3O2 — CID 107099465

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
SMILESCCN(C/C(N)=N/O)C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C12H16ClN3O2/c1-3-16(7-11(14)15-18)12(17)9-5-4-6-10(13)8(9)2/h4-6,18H,3,7H2,1-2H3,(H2,14,15)
InChIKeyDZVARFXBOGCFTH-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.86
Rot. Bonds4

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

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide (PubChem CID 107099465) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
PubChem CID107099465
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide
SMILESCCN(C/C(N)=N/O)C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C12H16ClN3O2/c1-3-16(7-11(14)15-18)12(17)9-5-4-6-10(13)8(9)2/h4-6,18H,3,7H2,1-2H3,(H2,14,15)
InChIKeyDZVARFXBOGCFTH-UHFFFAOYSA-N
XLogP1.86
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.86
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)-N-ethyl-2,3-dimethylbenzamide
CID 76928775
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
N-(2-amino-2-sulfanylideneethyl)-3-chloro-2-methyl-N-propylbenzamide
CID 107096826
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-chloro-4-methyl-N-propylbenzamide
CID 106863360
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
1-(2-amino-2-hydroxyiminoethyl)-3-(3,4-dichlorophenyl)-1-ethylurea
CID 76929020
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide (CID 107099465) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide is CCN(C/C(N)=N/O)C(=O)c1cccc(Cl)c1C.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide?
The InChIKey is DZVARFXBOGCFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-3-16(7-11(14)15-18)12(17)9-5-4-6-10(13)8(9)2/h4-6,18H,3,7H2,1-2H3,(H2,14,15).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-chloro-N-ethyl-2-methylbenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.86, 4 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]-3-chloro-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 107099465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).