N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

C15H21Cl2N3O — CID 126819767

IUPACN-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N3O/c1-19-7-5-12(10-19)20(2)8-6-15(21)18-14-9-11(16)3-4-13(14)17/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21)
InChIKeySBTUHIMRYUDPID-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.96
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide

N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (PubChem CID 126819767) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
PubChem CID126819767
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
SMILESCN1CCC(N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N3O/c1-19-7-5-12(10-19)20(2)8-6-15(21)18-14-9-11(16)3-4-13(14)17/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21)
InChIKeySBTUHIMRYUDPID-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-3-[cycloheptyl(methyl)amino]propanamide
CID 55482031
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 34205276
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
CID 113117624

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide (CID 126819767) is N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is CN1CCC(N(C)CCC(=O)Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
The InChIKey is SBTUHIMRYUDPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-19-7-5-12(10-19)20(2)8-6-15(21)18-14-9-11(16)3-4-13(14)17/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide?
N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide has a molecular weight of 330.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 126819767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).