3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide

C22H25ClN2O4 — CID 39003243

IUPAC3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C22H25ClN2O4/c1-3-10-29-21-18(23)12-16(13-19(21)28-2)22(27)24-14-15-6-4-7-17(11-15)25-9-5-8-20(25)26/h4,6-7,11-13H,3,5,8-10,14H2,1-2H3,(H,24,27)
InChIKeyQRIJDXKJPOZKMV-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.19
Rot. Bonds8

About 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide (PubChem CID 39003243) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
PubChem CID39003243
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C22H25ClN2O4/c1-3-10-29-21-18(23)12-16(13-19(21)28-2)22(27)24-14-15-6-4-7-17(11-15)25-9-5-8-20(25)26/h4,6-7,11-13H,3,5,8-10,14H2,1-2H3,(H,24,27)
InChIKeyQRIJDXKJPOZKMV-UHFFFAOYSA-N
XLogP4.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 95967526
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 39004011
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
CID 43067046
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide (CID 39003243) is 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide?
The InChIKey is QRIJDXKJPOZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-3-10-29-21-18(23)12-16(13-19(21)28-2)22(27)24-14-15-6-4-7-17(11-15)25-9-5-8-20(25)26/h4,6-7,11-13H,3,5,8-10,14H2,1-2H3,(H,24,27).
What are the key properties of 3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide has a molecular weight of 416.91 g/mol, XLogP of 4.19, 8 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-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide is sourced from PubChem (CID 39003243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).