N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide

C13H17BrClNO2 — CID 106689912

IUPACN-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(CCBr)C1CCCCC1
InChIInChI=1S/C13H17BrClNO2/c14-7-8-16(10-4-2-1-3-5-10)13(17)11-6-9-18-12(11)15/h6,9-10H,1-5,7-8H2
InChIKeyXTNIFUCNOHJJFE-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.10
Rot. Bonds4

About N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide

N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide (PubChem CID 106689912) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
PubChem CID106689912
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC NameN-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
SMILESO=C(c1ccoc1Cl)N(CCBr)C1CCCCC1
InChIInChI=1S/C13H17BrClNO2/c14-7-8-16(10-4-2-1-3-5-10)13(17)11-6-9-18-12(11)15/h6,9-10H,1-5,7-8H2
InChIKeyXTNIFUCNOHJJFE-UHFFFAOYSA-N
XLogP4.10
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide (CID 106689912) is N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide is O=C(c1ccoc1Cl)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide?
The InChIKey is XTNIFUCNOHJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c14-7-8-16(10-4-2-1-3-5-10)13(17)11-6-9-18-12(11)15/h6,9-10H,1-5,7-8H2.
What are the key properties of N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide?
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide has a molecular weight of 334.64 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide is sourced from PubChem (CID 106689912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).