3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

C17H19ClN2O4 — CID 55512609

IUPAC3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C17H19ClN2O4/c1-23-15-6-4-12(9-14(15)18)5-7-16(21)20-11-17(22)19-10-13-3-2-8-24-13/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyRMAPWWATCRMEDF-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.31
Rot. Bonds8

About 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide

3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (PubChem CID 55512609) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
PubChem CID55512609
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C17H19ClN2O4/c1-23-15-6-4-12(9-14(15)18)5-7-16(21)20-11-17(22)19-10-13-3-2-8-24-13/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyRMAPWWATCRMEDF-UHFFFAOYSA-N
XLogP2.31
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 51127338
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
3-(3-chloro-4-methoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]propanamide
CID 55566725
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24551010
2-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111201806
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
2-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035892
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide (CID 55512609) is 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is COc1ccc(CCC(=O)NCC(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
The InChIKey is RMAPWWATCRMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-23-15-6-4-12(9-14(15)18)5-7-16(21)20-11-17(22)19-10-13-3-2-8-24-13/h2-4,6,8-9H,5,7,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide?
3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide has a molecular weight of 350.80 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 55512609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).