5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide

C14H21BrN2O2 — CID 17010723

IUPAC5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2ccc(Br)o2)CCCCC1
InChIInChI=1S/C14H21BrN2O2/c1-17(2)14(8-4-3-5-9-14)10-16-13(18)11-6-7-12(15)19-11/h6-7H,3-5,8-10H2,1-2H3,(H,16,18)
InChIKeyFTHZCROWICXNMS-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide

5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide (PubChem CID 17010723) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
PubChem CID17010723
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2ccc(Br)o2)CCCCC1
InChIInChI=1S/C14H21BrN2O2/c1-17(2)14(8-4-3-5-9-14)10-16-13(18)11-6-7-12(15)19-11/h6-7H,3-5,8-10H2,1-2H3,(H,16,18)
InChIKeyFTHZCROWICXNMS-UHFFFAOYSA-N
XLogP3.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-5-ethylfuran-2-carboxamide
CID 47031293
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309573
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990
5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 115760620
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
CID 4781249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide (CID 17010723) is 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide is CN(C)C1(CNC(=O)c2ccc(Br)o2)CCCCC1.
What is the InChIKey of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide?
The InChIKey is FTHZCROWICXNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-17(2)14(8-4-3-5-9-14)10-16-13(18)11-6-7-12(15)19-11/h6-7H,3-5,8-10H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide?
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 17010723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).