N-(2-bromopropyl)-2-chlorofuran-3-carboxamide

C8H9BrClNO2 — CID 106690037

IUPACN-(2-bromopropyl)-2-chlorofuran-3-carboxamide
SMILESCC(Br)CNC(=O)c1ccoc1Cl
InChIInChI=1S/C8H9BrClNO2/c1-5(9)4-11-8(12)6-2-3-13-7(6)10/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyVJCUHCBXCILQRE-UHFFFAOYSA-N
MW266.52 g/mol
LogP2.45
Rot. Bonds3

About N-(2-bromopropyl)-2-chlorofuran-3-carboxamide

N-(2-bromopropyl)-2-chlorofuran-3-carboxamide (PubChem CID 106690037) has the molecular formula C8H9BrClNO2 and a molecular weight of 266.52 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-chlorofuran-3-carboxamide
PubChem CID106690037
Molecular FormulaC8H9BrClNO2
Molecular Weight266.52 g/mol
Exact Mass264.95
IUPAC NameN-(2-bromopropyl)-2-chlorofuran-3-carboxamide
SMILESCC(Br)CNC(=O)c1ccoc1Cl
InChIInChI=1S/C8H9BrClNO2/c1-5(9)4-11-8(12)6-2-3-13-7(6)10/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyVJCUHCBXCILQRE-UHFFFAOYSA-N
XLogP2.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 52.45
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

N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
CID 106683561
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 106686782
2-chloro-N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 106690017
N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 106683586
2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
CID 106688367

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(2-bromopropyl)-2-chlorofuran-3-carboxamide (CID 106690037) is N-(2-bromopropyl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-2-chlorofuran-3-carboxamide is CC(Br)CNC(=O)c1ccoc1Cl.
What is the InChIKey of N-(2-bromopropyl)-2-chlorofuran-3-carboxamide?
The InChIKey is VJCUHCBXCILQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2/c1-5(9)4-11-8(12)6-2-3-13-7(6)10/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of N-(2-bromopropyl)-2-chlorofuran-3-carboxamide?
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide has a molecular weight of 266.52 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106690037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).