5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide

C12H16BrNO3 — CID 47242145

IUPAC5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H16BrNO3/c1-7-6-10(13)17-11(7)12(16)14-8-2-4-9(15)5-3-8/h6,8-9,15H,2-5H2,1H3,(H,14,16)
InChIKeyHQNHSAIXKPLHAI-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.38
Rot. Bonds2

About 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide

5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide (PubChem CID 47242145) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
PubChem CID47242145
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H16BrNO3/c1-7-6-10(13)17-11(7)12(16)14-8-2-4-9(15)5-3-8/h6,8-9,15H,2-5H2,1H3,(H,14,16)
InChIKeyHQNHSAIXKPLHAI-UHFFFAOYSA-N
XLogP2.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
CID 167929645
5-bromo-N-[(1S,2R,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylfuran-2-carboxamide
CID 98234418
5-bromo-3-methyl-N-(3-pyrazol-1-ylcyclobutyl)furan-2-carboxamide
CID 167834233
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
5-bromo-N-(3-cyclopentylpropyl)-3-methylfuran-2-carboxamide
CID 55774303
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 119213277
7-chloro-N-(4-hydroxycyclohexyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 23723269
5-bromo-N-(2-cycloheptyloxyethyl)-3-methylfuran-2-carboxamide
CID 136526522
N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide
CID 154834349
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678770
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 86787888

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide (CID 47242145) is 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide?
The InChIKey is HQNHSAIXKPLHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-7-6-10(13)17-11(7)12(16)14-8-2-4-9(15)5-3-8/h6,8-9,15H,2-5H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide?
5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide has a molecular weight of 302.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47242145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).