[(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate

C15H12BrNO2 — CID 5396246

IUPAC[(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O/N=C\c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2/c1-11-4-2-3-5-14(11)15(18)19-17-10-12-6-8-13(16)9-7-12/h2-10H,1H3/b17-10-
InChIKeyRXDVUWKPQXCPNF-YVLHZVERSA-N
MW318.17 g/mol
LogP3.95
Rot. Bonds3

About [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate

[(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate (PubChem CID 5396246) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate.

Molecular Properties

Compound Name[(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate
PubChem CID5396246
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name[(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O/N=C\c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO2/c1-11-4-2-3-5-14(11)15(18)19-17-10-12-6-8-13(16)9-7-12/h2-10H,1H3/b17-10-
InChIKeyRXDVUWKPQXCPNF-YVLHZVERSA-N
XLogP3.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.95
H-Bond Donors ≤ 50
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

(E)-3-(4-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359486
nitroso 2-methylbenzoate
CID 175187431
[(4-bromophenyl)methylideneamino] 3-phenylpropanoate
CID 3875535
[[4-(2-methylbenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 2-methylbenzoate
CID 5228996
bromo 2-methylbenzoate
CID 67185739
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
[4-[(Z)-[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6185832
cis-[(E)-(4-bromophenyl)methylideneamino] (1S,2R)-2-phenylcyclopropane-1-carboxylate
CID 7434609
[(E)-(4-hydroxyphenyl)methylideneamino] benzoate
CID 135572086
methyl 2-[(E)-(4-bromophenyl)methylideneamino]oxyacetate
CID 23004808
ethane;methane;methyl 2-methylbenzoate
CID 168902289
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6109937

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate?
The IUPAC name of [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate (CID 5396246) is [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate.
What is the SMILES notation for [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate?
The canonical SMILES for [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate is Cc1ccccc1C(=O)O/N=C\c1ccc(Br)cc1.
What is the InChIKey of [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate?
The InChIKey is RXDVUWKPQXCPNF-YVLHZVERSA-N. The full InChI is InChI=1S/C15H12BrNO2/c1-11-4-2-3-5-14(11)15(18)19-17-10-12-6-8-13(16)9-7-12/h2-10H,1H3/b17-10-.
What are the key properties of [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate?
[(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate has a molecular weight of 318.17 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-bromophenyl)methylideneamino] 2-methylbenzoate is sourced from PubChem (CID 5396246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).