N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide

C12H15BrClNO2 — CID 106132945

IUPACN-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
SMILESO=C(NCC1CCCC(Br)C1)c1ccoc1Cl
InChIInChI=1S/C12H15BrClNO2/c13-9-3-1-2-8(6-9)7-15-12(16)10-4-5-17-11(10)14/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyMOMFZRSVCZCGNQ-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.62
Rot. Bonds3

About N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide

N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide (PubChem CID 106132945) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
PubChem CID106132945
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
SMILESO=C(NCC1CCCC(Br)C1)c1ccoc1Cl
InChIInChI=1S/C12H15BrClNO2/c13-9-3-1-2-8(6-9)7-15-12(16)10-4-5-17-11(10)14/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyMOMFZRSVCZCGNQ-UHFFFAOYSA-N
XLogP3.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 106132547
N-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
N-[(3-bromocyclohexyl)methyl]-4-chloro-2-nitrobenzamide
CID 106132707
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106683549
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
CID 106133086
N-[(3-bromocyclohexyl)methyl]-5-ethylfuran-2-carboxamide
CID 106133052
N-[(3-bromocyclopentyl)methyl]furan-2-carboxamide
CID 106128590
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
CID 106133060

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide (CID 106132945) is N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide is O=C(NCC1CCCC(Br)C1)c1ccoc1Cl.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide?
The InChIKey is MOMFZRSVCZCGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c13-9-3-1-2-8(6-9)7-15-12(16)10-4-5-17-11(10)14/h4-5,8-9H,1-3,6-7H2,(H,15,16).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide?
N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide has a molecular weight of 320.61 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106132945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).