N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide

C17H16Cl2N2O2 — CID 110507236

IUPACN-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-11(2)23-16-14(18)8-12(9-15(16)19)10-20-21-17(22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22)/b20-10+
InChIKeyRVVIHNSDMCCRKE-KEBDBYFISA-N
MW351.23 g/mol
LogP4.54
Rot. Bonds5

About N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide

N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 110507236) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID110507236
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-11(2)23-16-14(18)8-12(9-15(16)19)10-20-21-17(22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22)/b20-10+
InChIKeyRVVIHNSDMCCRKE-KEBDBYFISA-N
XLogP4.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.54
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-[(E)-(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507222
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
3-[(2E)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505192
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
1-benzyl-N-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523896
1-(4-chlorophenyl)-3-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110532392
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136661481
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3,5-dichlorophenyl]methylideneamino]benzamide
CID 126266809
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
CID 6445159

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 110507236) is N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide is CC(C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is RVVIHNSDMCCRKE-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11(2)23-16-14(18)8-12(9-15(16)19)10-20-21-17(22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide?
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110507236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).