2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

C23H29ClN2O2 — CID 133187825

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCc2ccccc2CN2CCCC2)cc(C)c1Cl
InChIInChI=1S/C23H29ClN2O2/c1-16-12-21(13-17(2)22(16)24)28-18(3)23(27)25-14-19-8-4-5-9-20(19)15-26-10-6-7-11-26/h4-5,8-9,12-13,18H,6-7,10-11,14-15H2,1-3H3,(H,25,27)
InChIKeyUHODWQUWAYLZDG-UHFFFAOYSA-N
MW400.95 g/mol
LogP4.64
Rot. Bonds7

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 133187825) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID133187825
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cc(OC(C)C(=O)NCc2ccccc2CN2CCCC2)cc(C)c1Cl
InChIInChI=1S/C23H29ClN2O2/c1-16-12-21(13-17(2)22(16)24)28-18(3)23(27)25-14-19-8-4-5-9-20(19)15-26-10-6-7-11-26/h4-5,8-9,12-13,18H,6-7,10-11,14-15H2,1-3H3,(H,25,27)
InChIKeyUHODWQUWAYLZDG-UHFFFAOYSA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189337
2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51327763
(2R)-2-(4-fluorophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644449
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450
(2R)-2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015246
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200091
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CID 133187825) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is Cc1cc(OC(C)C(=O)NCc2ccccc2CN2CCCC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is UHODWQUWAYLZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-16-12-21(13-17(2)22(16)24)28-18(3)23(27)25-14-19-8-4-5-9-20(19)15-26-10-6-7-11-26/h4-5,8-9,12-13,18H,6-7,10-11,14-15H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 400.95 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 133187825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).