N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide

C15H16ClNO2 — CID 113271444

IUPACN-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)c(C)o1
InChIInChI=1S/C15H16ClNO2/c1-10-8-13(11(2)19-10)15(18)17-9-14(16)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18)
InChIKeyWLLNCCHZIOXOMS-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.61
Rot. Bonds4

About N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide

N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 113271444) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID113271444
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(Cl)c2ccccc2)c(C)o1
InChIInChI=1S/C15H16ClNO2/c1-10-8-13(11(2)19-10)15(18)17-9-14(16)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18)
InChIKeyWLLNCCHZIOXOMS-UHFFFAOYSA-N
XLogP3.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.61
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-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114296047
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842
N-(2-chloro-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 114295626
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
N-(2-chloro-2-phenylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113271434
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide (CID 113271444) is N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(Cl)c2ccccc2)c(C)o1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WLLNCCHZIOXOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-8-13(11(2)19-10)15(18)17-9-14(16)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 113271444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).