3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

C18H22ClNO4 — CID 55334280

IUPAC3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H22ClNO4/c1-12(2)11-24-17-15(19)8-13(9-16(17)22-4)18(21)20(3)10-14-6-5-7-23-14/h5-9,12H,10-11H2,1-4H3
InChIKeyKXMUHVKEOHJKKW-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.25
Rot. Bonds7

About 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 55334280) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID55334280
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H22ClNO4/c1-12(2)11-24-17-15(19)8-13(9-16(17)22-4)18(21)20(3)10-14-6-5-7-23-14/h5-9,12H,10-11H2,1-4H3
InChIKeyKXMUHVKEOHJKKW-UHFFFAOYSA-N
XLogP4.25
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 71688772
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253753
3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 9439299
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60597223
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 56566598

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (CID 55334280) is 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is KXMUHVKEOHJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4/c1-12(2)11-24-17-15(19)8-13(9-16(17)22-4)18(21)20(3)10-14-6-5-7-23-14/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 351.83 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 55334280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).