N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide

C15H19BrN2O — CID 24818451

IUPACN-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide
SMILESCCC(=NNC(=O)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-2-14(12-8-5-9-13(16)10-12)17-18-15(19)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyUXSRNOWUVAWVDS-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide

N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide (PubChem CID 24818451) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide
PubChem CID24818451
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide
SMILESCCC(=NNC(=O)C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-2-14(12-8-5-9-13(16)10-12)17-18-15(19)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyUXSRNOWUVAWVDS-UHFFFAOYSA-N
XLogP3.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
CID 9233990
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
CID 5411890
N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 56695642
1-[(Z)-1-(3-bromophenyl)propylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9409720
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
[2-(3-bromophenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 23939872
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]cyclopropanecarboxamide
CID 135558237

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide (CID 24818451) is N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide is CCC(=NNC(=O)C1CCCC1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide?
The InChIKey is UXSRNOWUVAWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-2-14(12-8-5-9-13(16)10-12)17-18-15(19)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,18,19).
What are the key properties of N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide?
N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide has a molecular weight of 323.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 24818451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).