N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide

C17H25Cl2N3O — CID 120902455

IUPACN-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC1(C)CCNC1
InChIInChI=1S/C17H25Cl2N3O/c1-3-8-22(12-17(2)6-7-20-11-17)10-16(23)21-15-9-13(18)4-5-14(15)19/h4-5,9,20H,3,6-8,10-12H2,1-2H3,(H,21,23)
InChIKeyLNNQMHHMZJVREM-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.64
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide

N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide (PubChem CID 120902455) has the molecular formula C17H25Cl2N3O and a molecular weight of 358.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide
PubChem CID120902455
Molecular FormulaC17H25Cl2N3O
Molecular Weight358.31 g/mol
Exact Mass357.14
IUPAC NameN-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC1(C)CCNC1
InChIInChI=1S/C17H25Cl2N3O/c1-3-8-22(12-17(2)6-7-20-11-17)10-16(23)21-15-9-13(18)4-5-14(15)19/h4-5,9,20H,3,6-8,10-12H2,1-2H3,(H,21,23)
InChIKeyLNNQMHHMZJVREM-UHFFFAOYSA-N
XLogP3.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide
CID 4789849
methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate
CID 120903346
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423637
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide
CID 26003719
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide (CID 120902455) is N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC1(C)CCNC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide?
The InChIKey is LNNQMHHMZJVREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O/c1-3-8-22(12-17(2)6-7-20-11-17)10-16(23)21-15-9-13(18)4-5-14(15)19/h4-5,9,20H,3,6-8,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide has a molecular weight of 358.31 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide is sourced from PubChem (CID 120902455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).