N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide

C22H19BrN2O2 — CID 4933030

IUPACN-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
SMILESCC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O2/c1-16(18-7-11-20(23)12-8-18)24-25-22(26)19-9-13-21(14-10-19)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyMKBJMTXAOJGDJV-UHFFFAOYSA-N
MW423.31 g/mol
LogP5.18
Rot. Bonds6

About N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide

N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4933030) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
PubChem CID4933030
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
SMILESCC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O2/c1-16(18-7-11-20(23)12-8-18)24-25-22(26)19-9-13-21(14-10-19)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,26)
InChIKeyMKBJMTXAOJGDJV-UHFFFAOYSA-N
XLogP5.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.31
LogP ≤ 55.18
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

N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
CID 146162369
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide (CID 4933030) is N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide is CC(=NNC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is MKBJMTXAOJGDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-16(18-7-11-20(23)12-8-18)24-25-22(26)19-9-13-21(14-10-19)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide?
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 423.31 g/mol, XLogP of 5.18, 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-phenylmethoxybenzamide is sourced from PubChem (CID 4933030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).