benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate

C16H15BrN2O2 — CID 146162369

IUPACbenzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
SMILESC/C(=N\NC(=O)OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-12+
InChIKeyKITZWHYMBQUCHO-LDADJPATSA-N
MW347.21 g/mol
LogP4.10
Rot. Bonds4

About benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate

benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate (PubChem CID 146162369) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
PubChem CID146162369
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Namebenzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
SMILESC/C(=N\NC(=O)OCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-12+
InChIKeyKITZWHYMBQUCHO-LDADJPATSA-N
XLogP4.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.10
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'}

Analyze benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 146162370
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
benzyl 4-bromobenzoate
CID 603177
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
benzyl N-[(E)-3-amino-1-(4-bromophenyl)-1-hydroxybut-1-en-2-yl]carbamate
CID 144533112
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
4-bromo-N-phenylmethoxybenzamide
CID 41450559
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
benzyl N-[2-(4-bromophenyl)ethoxy]carbamate
CID 165437725

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate?
The IUPAC name of benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate (CID 146162369) is benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate.
What is the SMILES notation for benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate?
The canonical SMILES for benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate is C/C(=N\NC(=O)OCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate?
The InChIKey is KITZWHYMBQUCHO-LDADJPATSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-12+.
What are the key properties of benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate?
benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate has a molecular weight of 347.21 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 146162369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).