N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide

C11H15Cl2NO2 — CID 107867537

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide
SMILESCCC(CCl)(CCl)NC(=O)c1ccc(C)o1
InChIInChI=1S/C11H15Cl2NO2/c1-3-11(6-12,7-13)14-10(15)9-5-4-8(2)16-9/h4-5H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyMRXSZLLEAPXFJM-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.94
Rot. Bonds5

About N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide

N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide (PubChem CID 107867537) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide
PubChem CID107867537
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide
SMILESCCC(CCl)(CCl)NC(=O)c1ccc(C)o1
InChIInChI=1S/C11H15Cl2NO2/c1-3-11(6-12,7-13)14-10(15)9-5-4-8(2)16-9/h4-5H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyMRXSZLLEAPXFJM-UHFFFAOYSA-N
XLogP2.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.94
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-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
CID 107845274
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylfuran-2-carboxamide
CID 119569299
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,6-dihydroxybenzamide
CID 107867672
5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
CID 114315141
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzamide
CID 107867592
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-ethoxybenzamide
CID 107867677
N-[3-(chloromethyl)pentan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 114304703
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,5-dimethoxybenzamide
CID 107867479
N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide
CID 114304696
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
CID 106250802
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-methylpyridine-3-carboxamide
CID 107867635

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide (CID 107867537) is N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide is CCC(CCl)(CCl)NC(=O)c1ccc(C)o1.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide?
The InChIKey is MRXSZLLEAPXFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-3-11(6-12,7-13)14-10(15)9-5-4-8(2)16-9/h4-5H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide?
N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide has a molecular weight of 264.15 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 107867537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).