3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide

C19H25ClN2O4 — CID 51145070

IUPAC3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C19H25ClN2O4/c1-5-8-26-18-14(20)10-13(11-17(18)24-4)19(23)21-12-15(22(2)3)16-7-6-9-25-16/h6-7,9-11,15H,5,8,12H2,1-4H3,(H,21,23)
InChIKeyCRZDXDXJRLNDFY-UHFFFAOYSA-N
MW380.87 g/mol
LogP3.76
Rot. Bonds9

About 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide (PubChem CID 51145070) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide
PubChem CID51145070
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C19H25ClN2O4/c1-5-8-26-18-14(20)10-13(11-17(18)24-4)19(23)21-12-15(22(2)3)16-7-6-9-25-16/h6-7,9-11,15H,5,8,12H2,1-4H3,(H,21,23)
InChIKeyCRZDXDXJRLNDFY-UHFFFAOYSA-N
XLogP3.76
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
CID 55332491
3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 19114423
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 26855910
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 112502933
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
CID 112807261
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide (CID 51145070) is 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(c2ccco2)N(C)C)cc1OC.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide?
The InChIKey is CRZDXDXJRLNDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-5-8-26-18-14(20)10-13(11-17(18)24-4)19(23)21-12-15(22(2)3)16-7-6-9-25-16/h6-7,9-11,15H,5,8,12H2,1-4H3,(H,21,23).
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide?
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide has a molecular weight of 380.87 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 51145070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).