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

C21H24Cl2N2O — CID 46578509

IUPAC3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C21H24Cl2N2O/c22-19-9-7-18(20(23)13-19)8-10-21(26)24-14-16-3-5-17(6-4-16)15-25-11-1-2-12-25/h3-7,9,13H,1-2,8,10-12,14-15H2,(H,24,26)
InChIKeyXUCQBPWORLFMCR-UHFFFAOYSA-N
MW391.34 g/mol
LogP4.84
Rot. Bonds7

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

3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 46578509) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID46578509
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C21H24Cl2N2O/c22-19-9-7-18(20(23)13-19)8-10-21(26)24-14-16-3-5-17(6-4-16)15-25-11-1-2-12-25/h3-7,9,13H,1-2,8,10-12,14-15H2,(H,24,26)
InChIKeyXUCQBPWORLFMCR-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693
2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 27168075
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31949082

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CID 46578509) is 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is XUCQBPWORLFMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c22-19-9-7-18(20(23)13-19)8-10-21(26)24-14-16-3-5-17(6-4-16)15-25-11-1-2-12-25/h3-7,9,13H,1-2,8,10-12,14-15H2,(H,24,26).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 391.34 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46578509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).