N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide

C18H18Cl2N2O3 — CID 46804715

IUPACN-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)ccc1OC(C)C
InChIInChI=1S/C18H18Cl2N2O3/c1-11(2)25-16-8-7-12(9-17(16)24-3)18(23)22-21-10-13-14(19)5-4-6-15(13)20/h4-11H,1-3H3,(H,22,23)/b21-10+
InChIKeyNSLXERAIXMRSRX-UFFVCSGVSA-N
MW381.26 g/mol
LogP4.55
Rot. Bonds6

About N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide

N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 46804715) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID46804715
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)ccc1OC(C)C
InChIInChI=1S/C18H18Cl2N2O3/c1-11(2)25-16-8-7-12(9-17(16)24-3)18(23)22-21-10-13-14(19)5-4-6-15(13)20/h4-11H,1-3H3,(H,22,23)/b21-10+
InChIKeyNSLXERAIXMRSRX-UFFVCSGVSA-N
XLogP4.55
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-methoxy-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 6911550
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(E)-[5-chloro-1-[(4-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804651
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
3-amino-N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110512249
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804638

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide (CID 46804715) is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)ccc1OC(C)C.
What is the InChIKey of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is NSLXERAIXMRSRX-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11(2)25-16-8-7-12(9-17(16)24-3)18(23)22-21-10-13-14(19)5-4-6-15(13)20/h4-11H,1-3H3,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide?
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 381.26 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 46804715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).