3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide

C17H23ClN2O4 — CID 46532855

IUPAC3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C17H23ClN2O4/c1-3-8-24-16-13(18)9-12(10-14(16)23-2)17(22)19-11-15(21)20-6-4-5-7-20/h9-10H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyIRUWSQZZBUMIEJ-UHFFFAOYSA-N
MW354.83 g/mol
LogP2.49
Rot. Bonds7

About 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide

3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide (PubChem CID 46532855) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
PubChem CID46532855
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C17H23ClN2O4/c1-3-8-24-16-13(18)9-12(10-14(16)23-2)17(22)19-11-15(21)20-6-4-5-7-20/h9-10H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyIRUWSQZZBUMIEJ-UHFFFAOYSA-N
XLogP2.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
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
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methoxy-4-propoxybenzamide
CID 29296275
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226848

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide (CID 46532855) is 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(=O)N2CCCC2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
The InChIKey is IRUWSQZZBUMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-3-8-24-16-13(18)9-12(10-14(16)23-2)17(22)19-11-15(21)20-6-4-5-7-20/h9-10H,3-8,11H2,1-2H3,(H,19,22).
What are the key properties of 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide?
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide has a molecular weight of 354.83 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide is sourced from PubChem (CID 46532855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).