N-(2-bromobutyl)-5-chlorofuran-2-carboxamide

C9H11BrClNO2 — CID 106690154

IUPACN-(2-bromobutyl)-5-chlorofuran-2-carboxamide
SMILESCCC(Br)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H11BrClNO2/c1-2-6(10)5-12-9(13)7-3-4-8(11)14-7/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyITSIHECXBOWOER-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.84
Rot. Bonds4

About N-(2-bromobutyl)-5-chlorofuran-2-carboxamide

N-(2-bromobutyl)-5-chlorofuran-2-carboxamide (PubChem CID 106690154) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is N-(2-bromobutyl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromobutyl)-5-chlorofuran-2-carboxamide
PubChem CID106690154
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC NameN-(2-bromobutyl)-5-chlorofuran-2-carboxamide
SMILESCCC(Br)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H11BrClNO2/c1-2-6(10)5-12-9(13)7-3-4-8(11)14-7/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyITSIHECXBOWOER-UHFFFAOYSA-N
XLogP2.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.84
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

5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
CID 106253138
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681

Frequently Asked Questions

What is the IUPAC name of N-(2-bromobutyl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(2-bromobutyl)-5-chlorofuran-2-carboxamide (CID 106690154) is N-(2-bromobutyl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromobutyl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(2-bromobutyl)-5-chlorofuran-2-carboxamide is CCC(Br)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(2-bromobutyl)-5-chlorofuran-2-carboxamide?
The InChIKey is ITSIHECXBOWOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c1-2-6(10)5-12-9(13)7-3-4-8(11)14-7/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of N-(2-bromobutyl)-5-chlorofuran-2-carboxamide?
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide has a molecular weight of 280.55 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromobutyl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 106690154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).