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

C16H22BrNO2 — CID 82259351

IUPACN-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
SMILESCCOc1cc(CC(Br)CC)ccc1NC(=O)C1CC1
InChIInChI=1S/C16H22BrNO2/c1-3-13(17)9-11-5-8-14(15(10-11)20-4-2)18-16(19)12-6-7-12/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3,(H,18,19)
InChIKeyBFQDBJWCNCIEHN-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.15
Rot. Bonds7

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

N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide (PubChem CID 82259351) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
PubChem CID82259351
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
SMILESCCOc1cc(CC(Br)CC)ccc1NC(=O)C1CC1
InChIInChI=1S/C16H22BrNO2/c1-3-13(17)9-11-5-8-14(15(10-11)20-4-2)18-16(19)12-6-7-12/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3,(H,18,19)
InChIKeyBFQDBJWCNCIEHN-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259679
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
N-[4-(2-bromoethyl)-2-ethoxyphenyl]-4-butylcyclohexane-1-carboxamide
CID 82259227
N-[4-(2-bromopentyl)-2-ethoxyphenyl]-2,2-dimethylpropanamide
CID 82259416
4-(2-bromobutyl)-1,2-diethoxybenzene
CID 82254956
N-[4-(2-bromoethyl)-2-ethoxyphenyl]propanamide
CID 82259220
N-[4-(2-bromo-4-methylpentyl)-2-ethoxyphenyl]-2-methoxyacetamide
CID 82259560
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide (CID 82259351) is N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide is CCOc1cc(CC(Br)CC)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
The InChIKey is BFQDBJWCNCIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-13(17)9-11-5-8-14(15(10-11)20-4-2)18-16(19)12-6-7-12/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide has a molecular weight of 340.26 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82259351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).