methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate

C18H16Cl2N2O4 — CID 40512717

IUPACmethyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
SMILESCOC(=O)[C@H](/C=N\OCc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-18(24)16(22-17(23)12-5-3-2-4-6-12)10-21-26-11-13-7-8-14(19)9-15(13)20/h2-10,16H,11H2,1H3,(H,22,23)/b21-10-/t16-/m0/s1
InChIKeyCZJGRBUVNJRWNB-QZPXRHMKSA-N
MW395.24 g/mol
LogP3.47
Rot. Bonds7

About methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate

methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate (PubChem CID 40512717) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate.

Molecular Properties

Compound Namemethyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
PubChem CID40512717
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Namemethyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
SMILESCOC(=O)[C@H](/C=N\OCc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-18(24)16(22-17(23)12-5-3-2-4-6-12)10-21-26-11-13-7-8-14(19)9-15(13)20/h2-10,16H,11H2,1H3,(H,22,23)/b21-10-/t16-/m0/s1
InChIKeyCZJGRBUVNJRWNB-QZPXRHMKSA-N
XLogP3.47
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4-fluorophenyl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 55925684
N-[1-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3383936
(2,4-dichlorophenyl)methyl 2-[(3-nitrobenzoyl)amino]propanoate
CID 55309534
(2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one
CID 42550417
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
1-[3-[(2,4-dichlorophenyl)methoxyimino]propanoylamino]-3-methylthiourea
CID 3372799
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine
CID 141076402
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
CID 2375336
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate?
The IUPAC name of methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate (CID 40512717) is methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate.
What is the SMILES notation for methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate?
The canonical SMILES for methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate is COC(=O)[C@H](/C=N\OCc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate?
The InChIKey is CZJGRBUVNJRWNB-QZPXRHMKSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-25-18(24)16(22-17(23)12-5-3-2-4-6-12)10-21-26-11-13-7-8-14(19)9-15(13)20/h2-10,16H,11H2,1H3,(H,22,23)/b21-10-/t16-/m0/s1.
What are the key properties of methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate?
methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate has a molecular weight of 395.24 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate is sourced from PubChem (CID 40512717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).