N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide

C16H14Cl2N2O2 — CID 110515329

IUPACN-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-22-16-13(17)7-12(8-14(16)18)10-19-20-15(21)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21)/b19-10-
InChIKeyDSUTUVSFROLHKK-GRSHGNNSSA-N
MW337.21 g/mol
LogP3.69
Rot. Bonds5

About N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide

N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 110515329) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID110515329
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-22-16-13(17)7-12(8-14(16)18)10-19-20-15(21)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21)/b19-10-
InChIKeyDSUTUVSFROLHKK-GRSHGNNSSA-N
XLogP3.69
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 110515767
N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 59185880
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319
N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
CID 6445159
2-[4-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]-2-chloro-6-methoxyphenoxy]acetic acid
CID 19061289
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
CID 2841647
N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515613
N-[(E)-(3-bromo-5-chloro-4-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 124549000
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]acetamide
CID 110522702

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide (CID 110515329) is N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide is COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is DSUTUVSFROLHKK-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-22-16-13(17)7-12(8-14(16)18)10-19-20-15(21)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 337.21 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 110515329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).