N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide

C15H20BrNO — CID 113469199

IUPACN-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CCCBr)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20BrNO/c1-2-17(12-6-11-16)14(18)15(9-10-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyBKNYBAKLARUSCM-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.35
Rot. Bonds6

About N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide

N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 113469199) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID113469199
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CCCBr)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20BrNO/c1-2-17(12-6-11-16)14(18)15(9-10-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyBKNYBAKLARUSCM-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 107206168
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
CID 63392759
1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide
CID 134040980
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide (CID 113469199) is N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide is CCN(CCCBr)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is BKNYBAKLARUSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-2-17(12-6-11-16)14(18)15(9-10-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide?
N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 113469199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).