N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide

C19H22BrN3O2 — CID 92658934

IUPACN-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-4-11-25-16-8-6-15(7-9-16)19(24)22-21-13-14-5-10-18(23(2)3)17(20)12-14/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)/b21-13-
InChIKeyZWRUQXZBHXDRDO-BKUYFWCQSA-N
MW404.31 g/mol
LogP4.07
Rot. Bonds7

About N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide

N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide (PubChem CID 92658934) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide
PubChem CID92658934
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)cc1
InChIInChI=1S/C19H22BrN3O2/c1-4-11-25-16-8-6-15(7-9-16)19(24)22-21-13-14-5-10-18(23(2)3)17(20)12-14/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)/b21-13-
InChIKeyZWRUQXZBHXDRDO-BKUYFWCQSA-N
XLogP4.07
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.07
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

N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246243
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 133169560
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658847
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6114040
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide (CID 92658934) is N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2ccc(N(C)C)c(Br)c2)cc1.
What is the InChIKey of N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide?
The InChIKey is ZWRUQXZBHXDRDO-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-4-11-25-16-8-6-15(7-9-16)19(24)22-21-13-14-5-10-18(23(2)3)17(20)12-14/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)/b21-13-.
What are the key properties of N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide?
N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide has a molecular weight of 404.31 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 92658934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).