N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide

C18H20BrN3O2 — CID 17246243

IUPACN-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1
InChIInChI=1S/C18H20BrN3O2/c1-4-24-15-8-6-14(7-9-15)18(23)21-20-12-13-5-10-17(22(2)3)16(19)11-13/h5-12H,4H2,1-3H3,(H,21,23)/b20-12+
InChIKeyRYDZACRSAVUIKV-UDWIEESQSA-N
MW390.28 g/mol
LogP3.68
Rot. Bonds6

About N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide

N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide (PubChem CID 17246243) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide
PubChem CID17246243
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1
InChIInChI=1S/C18H20BrN3O2/c1-4-24-15-8-6-14(7-9-15)18(23)21-20-12-13-5-10-17(22(2)3)16(19)11-13/h5-12H,4H2,1-3H3,(H,21,23)/b20-12+
InChIKeyRYDZACRSAVUIKV-UDWIEESQSA-N
XLogP3.68
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.68
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-[(Z)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658934
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246135
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137122703
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 124537178
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246143

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide (CID 17246243) is N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1.
What is the InChIKey of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide?
The InChIKey is RYDZACRSAVUIKV-UDWIEESQSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-4-24-15-8-6-14(7-9-15)18(23)21-20-12-13-5-10-17(22(2)3)16(19)11-13/h5-12H,4H2,1-3H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide?
N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide has a molecular weight of 390.28 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 17246243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).