N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide

C19H21BrN2O2 — CID 4929974

IUPACN-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
SMILESCC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)12-24-18-10-6-16(7-11-18)19(23)22-21-14(3)15-4-8-17(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyFZZJQVJGKMNNHK-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.64
Rot. Bonds6

About N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide

N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide (PubChem CID 4929974) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
PubChem CID4929974
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
SMILESCC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)12-24-18-10-6-16(7-11-18)19(23)22-21-14(3)15-4-8-17(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyFZZJQVJGKMNNHK-UHFFFAOYSA-N
XLogP4.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.64
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

4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide
CID 3098198
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide (CID 4929974) is N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide is CC(=NNC(=O)c1ccc(OCC(C)C)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
The InChIKey is FZZJQVJGKMNNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(2)12-24-18-10-6-16(7-11-18)19(23)22-21-14(3)15-4-8-17(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide?
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide has a molecular weight of 389.29 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4929974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).