N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide

C12H18ClNO2 — CID 107205486

IUPACN-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)CCCCCCl
InChIInChI=1S/C12H18ClNO2/c1-10-11(6-9-16-10)12(15)14(2)8-5-3-4-7-13/h6,9H,3-5,7-8H2,1-2H3
InChIKeyUOHIRFBPDVPKFO-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.07
Rot. Bonds6

About N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide

N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide (PubChem CID 107205486) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
PubChem CID107205486
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)CCCCCCl
InChIInChI=1S/C12H18ClNO2/c1-10-11(6-9-16-10)12(15)14(2)8-5-3-4-7-13/h6,9H,3-5,7-8H2,1-2H3
InChIKeyUOHIRFBPDVPKFO-UHFFFAOYSA-N
XLogP3.07
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
CID 107202593
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961
N-(2-aminopropyl)-N,2-dimethylfuran-3-carboxamide
CID 63755935
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
CID 56758649
N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
4-chloro-N-(5-chloropentyl)-N-methyl-2-nitrobenzamide
CID 107205659
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide (CID 107205486) is N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)CCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide?
The InChIKey is UOHIRFBPDVPKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-10-11(6-9-16-10)12(15)14(2)8-5-3-4-7-13/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide?
N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide has a molecular weight of 243.73 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 107205486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).