N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide

C16H23Cl2N3O — CID 119921476

IUPACN-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CCNC1
InChIInChI=1S/C16H23Cl2N3O/c1-2-9-21(12-6-8-19-11-12)10-7-15(22)20-16-13(17)4-3-5-14(16)18/h3-5,12,19H,2,6-11H2,1H3,(H,20,22)
InChIKeyVAXFWQFXSHWTNY-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.40
Rot. Bonds7

About N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide

N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide (PubChem CID 119921476) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
PubChem CID119921476
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC NameN-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CCNC1
InChIInChI=1S/C16H23Cl2N3O/c1-2-9-21(12-6-8-19-11-12)10-7-15(22)20-16-13(17)4-3-5-14(16)18/h3-5,12,19H,2,6-11H2,1H3,(H,20,22)
InChIKeyVAXFWQFXSHWTNY-UHFFFAOYSA-N
XLogP3.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
CID 60834197
N-cyclohexyl-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304196
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 119932936
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
CID 87018474
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide (CID 119921476) is N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide is CCCN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CCNC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide?
The InChIKey is VAXFWQFXSHWTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O/c1-2-9-21(12-6-8-19-11-12)10-7-15(22)20-16-13(17)4-3-5-14(16)18/h3-5,12,19H,2,6-11H2,1H3,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide?
N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide has a molecular weight of 344.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 119921476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).