N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide

C14H18BrNO — CID 82254939

IUPACN-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
SMILESCCC(Br)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18BrNO/c1-2-12(15)9-10-3-7-13(8-4-10)16-14(17)11-5-6-11/h3-4,7-8,11-12H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyPJHMXKDXRUZRQA-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.75
Rot. Bonds5

About N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide

N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide (PubChem CID 82254939) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
PubChem CID82254939
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
SMILESCCC(Br)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18BrNO/c1-2-12(15)9-10-3-7-13(8-4-10)16-14(17)11-5-6-11/h3-4,7-8,11-12H,2,5-6,9H2,1H3,(H,16,17)
InChIKeyPJHMXKDXRUZRQA-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259351
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
N-[4-(2-bromobutyl)phenyl]-2,2,2-trifluoroacetamide
CID 82259344
N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
CID 82254675
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
CID 82262388
N-[4-(2-aminobutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259804
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
CID 82359770
N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 79023059
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide (CID 82254939) is N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide is CCC(Br)Cc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide?
The InChIKey is PJHMXKDXRUZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-12(15)9-10-3-7-13(8-4-10)16-14(17)11-5-6-11/h3-4,7-8,11-12H,2,5-6,9H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide?
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide has a molecular weight of 296.21 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82254939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).