N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide

C15H21BrN2O — CID 115697061

IUPACN-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
SMILESCCC(NCCNC(=O)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-2-14(11-5-7-13(16)8-6-11)17-9-10-18-15(19)12-3-4-12/h5-8,12,14,17H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyVLPOZTFTPBWHRM-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115697061) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
PubChem CID115697061
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
SMILESCCC(NCCNC(=O)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-2-14(11-5-7-13(16)8-6-11)17-9-10-18-15(19)12-3-4-12/h5-8,12,14,17H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyVLPOZTFTPBWHRM-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115667883
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-[2-[1-(3-bromophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113246946
3-[1-(4-bromophenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550181
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide (CID 115697061) is N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide is CCC(NCCNC(=O)C1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is VLPOZTFTPBWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-14(11-5-7-13(16)8-6-11)17-9-10-18-15(19)12-3-4-12/h5-8,12,14,17H,2-4,9-10H2,1H3,(H,18,19).
What are the key properties of N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115697061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).