3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide

C17H20Cl2N2O2 — CID 110302093

IUPAC3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C17H20Cl2N2O2/c1-21(2)15(16-4-3-9-23-16)11-20-17(22)8-6-12-5-7-13(18)14(19)10-12/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,20,22)
InChIKeyFCDHNEAXQPIQES-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.94
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide

3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide (PubChem CID 110302093) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
PubChem CID110302093
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
SMILESCN(C)C(CNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C17H20Cl2N2O2/c1-21(2)15(16-4-3-9-23-16)11-20-17(22)8-6-12-5-7-13(18)14(19)10-12/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,20,22)
InChIKeyFCDHNEAXQPIQES-UHFFFAOYSA-N
XLogP3.94
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43005118
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide
CID 51162757
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
CID 51145123
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide (CID 110302093) is 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide is CN(C)C(CNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
The InChIKey is FCDHNEAXQPIQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-21(2)15(16-4-3-9-23-16)11-20-17(22)8-6-12-5-7-13(18)14(19)10-12/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide?
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide has a molecular weight of 355.27 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide is sourced from PubChem (CID 110302093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).