4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide

C23H27ClN2O4 — CID 92900692

IUPAC4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC[C@H]1COc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C23H27ClN2O4/c1-15(2)25-22(27)16-6-9-19(10-7-16)30-14-18-5-4-12-26(18)23(28)20-11-8-17(24)13-21(20)29-3/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyUBVNDPBJKFGFPY-SFHVURJKSA-N
MW430.93 g/mol
LogP4.17
Rot. Bonds7

About 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 92900692) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID92900692
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC[C@H]1COc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C23H27ClN2O4/c1-15(2)25-22(27)16-6-9-19(10-7-16)30-14-18-5-4-12-26(18)23(28)20-11-8-17(24)13-21(20)29-3/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyUBVNDPBJKFGFPY-SFHVURJKSA-N
XLogP4.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339902
4-[[(2S)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900623
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
4-[[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900710
4-[[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 50846553
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
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-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
4-[[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 163339849
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (CID 92900692) is 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is COc1cc(Cl)ccc1C(=O)N1CCC[C@H]1COc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is UBVNDPBJKFGFPY-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-15(2)25-22(27)16-6-9-19(10-7-16)30-14-18-5-4-12-26(18)23(28)20-11-8-17(24)13-21(20)29-3/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 430.93 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 92900692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).