N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide

C15H18BrNO — CID 113313525

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C15H18BrNO/c16-10-14(6-7-14)11-17-13(18)15(8-9-15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChIKeyJWVYFWACOFNHMP-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.01
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide

N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 113313525) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID113313525
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCC1(CBr)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C15H18BrNO/c16-10-14(6-7-14)11-17-13(18)15(8-9-15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
InChIKeyJWVYFWACOFNHMP-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.01
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-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropane-1-carboxamide
CID 80711321
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
CID 2518064
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide (CID 113313525) is N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCC1(CBr)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is JWVYFWACOFNHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-10-14(6-7-14)11-17-13(18)15(8-9-15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18).
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 308.22 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 113313525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).