N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide

C13H15BrN2O — CID 9233990

IUPACN-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
SMILESCC/C(=N/NC(=O)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-2-12(10-4-3-5-11(14)8-10)15-16-13(17)9-6-7-9/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)/b15-12-
InChIKeyRUWARXVPTOIGGP-QINSGFPZSA-N
MW295.18 g/mol
LogP3.09
Rot. Bonds4

About N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide

N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide (PubChem CID 9233990) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
PubChem CID9233990
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
SMILESCC/C(=N/NC(=O)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-2-12(10-4-3-5-11(14)8-10)15-16-13(17)9-6-7-9/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)/b15-12-
InChIKeyRUWARXVPTOIGGP-QINSGFPZSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.09
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-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide
CID 24818451
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
CID 5411890
1-[(Z)-1-(3-bromophenyl)propylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9409720
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 56695642
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]cyclopropanecarboxamide
CID 135558237
(1S)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2,2-dicyclopropylcyclopropane-1-carboxamide
CID 6977786
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide (CID 9233990) is N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide is CC/C(=N/NC(=O)C1CC1)c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide?
The InChIKey is RUWARXVPTOIGGP-QINSGFPZSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-12(10-4-3-5-11(14)8-10)15-16-13(17)9-6-7-9/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)/b15-12-.
What are the key properties of N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide?
N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide has a molecular weight of 295.18 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 9233990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).