N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide

C18H19BrN2O2 — CID 99945469

IUPACN-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13-
InChIKeyPBCDWQFZJXFLOO-MOSHPQCFSA-N
MW375.27 g/mol
LogP4.39
Rot. Bonds6

About N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide (PubChem CID 99945469) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
PubChem CID99945469
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13-
InChIKeyPBCDWQFZJXFLOO-MOSHPQCFSA-N
XLogP4.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.39
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-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169925
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
CID 5340622
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
CID 137268526

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide (CID 99945469) is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide?
The InChIKey is PBCDWQFZJXFLOO-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-12-23-17-10-6-15(7-11-17)18(22)21-20-13(2)14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-13-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide?
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide has a molecular weight of 375.27 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 99945469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).