N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide

C14H22ClNO2 — CID 114145694

IUPACN-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C14H22ClNO2/c1-4-5-12(6-7-15)9-16-14(17)13-8-10(2)18-11(13)3/h8,12H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyDJMZFSAYPYZWLX-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.67
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 114145694) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID114145694
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C14H22ClNO2/c1-4-5-12(6-7-15)9-16-14(17)13-8-10(2)18-11(13)3/h8,12H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyDJMZFSAYPYZWLX-UHFFFAOYSA-N
XLogP3.67
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.67
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-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
CID 114145710
N-[2-(2-chloroethyl)pentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 106117461
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(2-ethylhexyl)urea
CID 42954143

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide (CID 114145694) is N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide is CCCC(CCCl)CNC(=O)c1cc(C)oc1C.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DJMZFSAYPYZWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-5-12(6-7-15)9-16-14(17)13-8-10(2)18-11(13)3/h8,12H,4-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 271.79 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 114145694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).