5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide

C19H22ClNO3 — CID 19457491

IUPAC5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
SMILESCc1cc(Cl)ccc1OCc1ccc(C(=O)NC2CCCCC2)o1
InChIInChI=1S/C19H22ClNO3/c1-13-11-14(20)7-9-17(13)23-12-16-8-10-18(24-16)19(22)21-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,21,22)
InChIKeyUKDFTDQOWRLBMH-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.88
Rot. Bonds5

About 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide

5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide (PubChem CID 19457491) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
PubChem CID19457491
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
SMILESCc1cc(Cl)ccc1OCc1ccc(C(=O)NC2CCCCC2)o1
InChIInChI=1S/C19H22ClNO3/c1-13-11-14(20)7-9-17(13)23-12-16-8-10-18(24-16)19(22)21-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,21,22)
InChIKeyUKDFTDQOWRLBMH-UHFFFAOYSA-N
XLogP4.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19457527
5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19457564
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-cycloheptyl-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453107
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931
5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide
CID 19459447
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide (CID 19457491) is 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide is Cc1cc(Cl)ccc1OCc1ccc(C(=O)NC2CCCCC2)o1.
What is the InChIKey of 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
The InChIKey is UKDFTDQOWRLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13-11-14(20)7-9-17(13)23-12-16-8-10-18(24-16)19(22)21-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,21,22).
What are the key properties of 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide?
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide has a molecular weight of 347.84 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide is sourced from PubChem (CID 19457491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).