N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide

C20H25ClN2O2 — CID 6148191

IUPACN-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C(/C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25ClN2O2/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)22-23-19(24)17-8-16(21)3-4-18(17)25-2/h3-4,8,13-15H,5-7,9-11H2,1-2H3,(H,23,24)/b22-12-
InChIKeyQIYXQIMANHVTEL-UUYOSTAYSA-N
MW360.89 g/mol
LogP4.67
Rot. Bonds4

About N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide

N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide (PubChem CID 6148191) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
PubChem CID6148191
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C(/C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25ClN2O2/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)22-23-19(24)17-8-16(21)3-4-18(17)25-2/h3-4,8,13-15H,5-7,9-11H2,1-2H3,(H,23,24)/b22-12-
InChIKeyQIYXQIMANHVTEL-UUYOSTAYSA-N
XLogP4.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.67
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

5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
N-[(E)-1-(1-adamantyl)ethylideneamino]-2-hydroxy-3-methoxybenzamide
CID 95041471
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-chloroadamantane-1-carboxylate
CID 3298477
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (5R,7R)-3-chloroadamantane-1-carboxylate
CID 98294656
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
CID 2852529

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide (CID 6148191) is N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N/N=C(/C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
The InChIKey is QIYXQIMANHVTEL-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)22-23-19(24)17-8-16(21)3-4-18(17)25-2/h3-4,8,13-15H,5-7,9-11H2,1-2H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide?
N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide has a molecular weight of 360.89 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1-adamantyl)ethylideneamino]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 6148191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).