4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide

C22H23ClN2O3 — CID 50846259

IUPAC4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCCN2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O3/c23-17-7-3-16(4-8-17)22(27)25-13-1-2-19(25)14-28-20-11-5-15(6-12-20)21(26)24-18-9-10-18/h3-8,11-12,18-19H,1-2,9-10,13-14H2,(H,24,26)
InChIKeyXRCKITZXGXLCIA-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.92
Rot. Bonds6

About 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide

4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide (PubChem CID 50846259) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
PubChem CID50846259
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CCCN2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O3/c23-17-7-3-16(4-8-17)22(27)25-13-1-2-19(25)14-28-20-11-5-15(6-12-20)21(26)24-18-9-10-18/h3-8,11-12,18-19H,1-2,9-10,13-14H2,(H,24,26)
InChIKeyXRCKITZXGXLCIA-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 92900504
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
4-[[1-(4-chlorobenzoyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 53150189
N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339434
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339701
4-[[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 50846553
N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339566
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900674
[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide (CID 50846259) is 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(OCC2CCCN2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide?
The InChIKey is XRCKITZXGXLCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-17-7-3-16(4-8-17)22(27)25-13-1-2-19(25)14-28-20-11-5-15(6-12-20)21(26)24-18-9-10-18/h3-8,11-12,18-19H,1-2,9-10,13-14H2,(H,24,26).
What are the key properties of 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide?
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 50846259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).