N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide

C17H17Cl2NO3 — CID 95748474

IUPACN-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(CC1CC1)C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H17Cl2NO3/c1-20(9-11-2-3-11)17(21)16-7-5-13(23-16)10-22-15-6-4-12(18)8-14(15)19/h4-8,11H,2-3,9-10H2,1H3
InChIKeyVWPUDWCIUMFJJB-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.65
Rot. Bonds6

About N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide

N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide (PubChem CID 95748474) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide
PubChem CID95748474
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(CC1CC1)C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H17Cl2NO3/c1-20(9-11-2-3-11)17(21)16-7-5-13(23-16)10-22-15-6-4-12(18)8-14(15)19/h4-8,11H,2-3,9-10H2,1H3
InChIKeyVWPUDWCIUMFJJB-UHFFFAOYSA-N
XLogP4.65
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95748480
5-[(2,4-dichlorophenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 4867387
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
5-[(4-acetylphenoxy)methyl]-N-(cyclopropylmethyl)-N-methylfuran-2-carboxamide
CID 95748484
5-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19453926
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 110278359
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 19454345
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19464609

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide (CID 95748474) is N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide is CN(CC1CC1)C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is VWPUDWCIUMFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-20(9-11-2-3-11)17(21)16-7-5-13(23-16)10-22-15-6-4-12(18)8-14(15)19/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide?
N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 354.23 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[(2,4-dichlorophenoxy)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 95748474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).