4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide

C19H21ClN4O3 — CID 60603599

IUPAC4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CO/N=C(/N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-24(2)19(26)13-7-9-15(10-8-13)22-18(25)12-27-23-17(21)11-14-5-3-4-6-16(14)20/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyGHKZWBCHFYSHPN-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.51
Rot. Bonds7

About 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide

4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 60603599) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
PubChem CID60603599
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CO/N=C(/N)Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-24(2)19(26)13-7-9-15(10-8-13)22-18(25)12-27-23-17(21)11-14-5-3-4-6-16(14)20/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyGHKZWBCHFYSHPN-UHFFFAOYSA-N
XLogP2.51
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782647
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821284
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133428
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133427
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887651

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide (CID 60603599) is 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CO/N=C(/N)Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is GHKZWBCHFYSHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-24(2)19(26)13-7-9-15(10-8-13)22-18(25)12-27-23-17(21)11-14-5-3-4-6-16(14)20/h3-10H,11-12H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 388.86 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 60603599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).