N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

C16H25Cl2N3O — CID 119921601

IUPACN-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(C)c(Cl)c1)C1CCNC1.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-3-8-20(14-6-7-18-10-14)11-16(21)19-13-5-4-12(2)15(17)9-13;/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3,(H,19,21);1H
InChIKeyCHIRESWFMKLGQX-UHFFFAOYSA-N
MW346.30 g/mol
LogP3.08
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (PubChem CID 119921601) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
PubChem CID119921601
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(C)c(Cl)c1)C1CCNC1.Cl
InChIInChI=1S/C16H24ClN3O.ClH/c1-3-8-20(14-6-7-18-10-14)11-16(21)19-13-5-4-12(2)15(17)9-13;/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3,(H,19,21);1H
InChIKeyCHIRESWFMKLGQX-UHFFFAOYSA-N
XLogP3.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921556
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933101
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921602
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304380

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (CID 119921601) is N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is CCCN(CC(=O)Nc1ccc(C)c(Cl)c1)C1CCNC1.Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The InChIKey is CHIRESWFMKLGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O.ClH/c1-3-8-20(14-6-7-18-10-14)11-16(21)19-13-5-4-12(2)15(17)9-13;/h4-5,9,14,18H,3,6-8,10-11H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride has a molecular weight of 346.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119921601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).