[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate

C15H13BrN2O2 — CID 6326497

IUPAC[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O2/c1-11-2-8-14(9-3-11)18-15(19)20-17-10-12-4-6-13(16)7-5-12/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyJEOONNDBWXYJSK-LICLKQGHSA-N
MW333.19 g/mol
LogP4.34
Rot. Bonds3

About [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate

[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate (PubChem CID 6326497) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate
PubChem CID6326497
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O2/c1-11-2-8-14(9-3-11)18-15(19)20-17-10-12-4-6-13(16)7-5-12/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyJEOONNDBWXYJSK-LICLKQGHSA-N
XLogP4.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-benzylideneamino] N-(4-methylphenyl)carbamate
CID 5409159
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
[(E)-ethylideneamino] N-[4-[[(E)-ethylideneamino]oxycarbonylamino]phenyl]carbamate
CID 141252091
1-[(E)-[4-(4-bromophenoxy)phenyl]methylideneamino]-3-(4-methylphenyl)thiourea
CID 71698871
1-(4-bromophenyl)-3-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]thiourea
CID 56970998
[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6002745
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5406979
N-(4-bromophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668804
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7486392

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate?
The IUPAC name of [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate (CID 6326497) is [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate?
The canonical SMILES for [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)O/N=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate?
The InChIKey is JEOONNDBWXYJSK-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-11-2-8-14(9-3-11)18-15(19)20-17-10-12-4-6-13(16)7-5-12/h2-10H,1H3,(H,18,19)/b17-10+.
What are the key properties of [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate?
[(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate has a molecular weight of 333.19 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-bromophenyl)methylideneamino] N-(4-methylphenyl)carbamate is sourced from PubChem (CID 6326497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).