N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide

C12H20BrNO — CID 130553810

IUPACN-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)NC2CCC(Br)CC2)CC1
InChIInChI=1S/C12H20BrNO/c1-2-12(7-8-12)11(15)14-10-5-3-9(13)4-6-10/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyGKESTOHYULUZER-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.00
Rot. Bonds3

About N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide

N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide (PubChem CID 130553810) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide
PubChem CID130553810
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC NameN-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)NC2CCC(Br)CC2)CC1
InChIInChI=1S/C12H20BrNO/c1-2-12(7-8-12)11(15)14-10-5-3-9(13)4-6-10/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyGKESTOHYULUZER-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.00
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-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide
CID 114309108
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
2-[4-[(1-ethylcyclopropanecarbonyl)amino]cyclohexyl]acetic acid
CID 121439175
1-ethyl-N-[4-(hydroxymethyl)cyclohexyl]cyclopentane-1-carboxamide
CID 113384226
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
N-(4-bromocyclohexyl)-2-ethylbutanamide
CID 114309036
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
N-(4-bromocyclohexyl)-2-methylpropanamide
CID 114309031
N-(4-bromocyclohexyl)-2-methylpentanamide
CID 114309002
1-ethyl-N-(2-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 120601589
N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide
CID 70343815

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide (CID 130553810) is N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide is CCC1(C(=O)NC2CCC(Br)CC2)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide?
The InChIKey is GKESTOHYULUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-2-12(7-8-12)11(15)14-10-5-3-9(13)4-6-10/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide?
N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide has a molecular weight of 274.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 130553810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).