N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide

C11H15ClN2O4 — CID 107157274

IUPACN-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
SMILESCC(C)CC(Cl)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15ClN2O4/c1-7(2)5-8(12)6-13-11(15)9-3-4-10(18-9)14(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyTWUDZPXOKYSOFE-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.57
Rot. Bonds6

About N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide

N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide (PubChem CID 107157274) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
PubChem CID107157274
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC NameN-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
SMILESCC(C)CC(Cl)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15ClN2O4/c1-7(2)5-8(12)6-13-11(15)9-3-4-10(18-9)14(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,13,15)
InChIKeyTWUDZPXOKYSOFE-UHFFFAOYSA-N
XLogP2.57
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
N-(3-chloro-3-methyl-2-nitrosobutyl)-5-nitrofuran-2-carboxamide
CID 18929168
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide
CID 113276420
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(2-methylpropyl)-2-(5-nitrofuran-2-yl)prop-2-enamide
CID 21116929
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-5-nitrofuran-2-carboxamide
CID 90496744

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide (CID 107157274) is N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide is CC(C)CC(Cl)CNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide?
The InChIKey is TWUDZPXOKYSOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-7(2)5-8(12)6-13-11(15)9-3-4-10(18-9)14(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide?
N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide has a molecular weight of 274.70 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 107157274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).