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

C14H19Cl2N3O — CID 63297992

IUPACN-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCNC1
InChIInChI=1S/C14H19Cl2N3O/c1-19(11-4-6-17-9-11)7-5-14(20)18-13-8-10(15)2-3-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyGVVSXDXYTNVTLR-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.62
Rot. Bonds5

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

N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide (PubChem CID 63297992) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
PubChem CID63297992
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
SMILESCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCNC1
InChIInChI=1S/C14H19Cl2N3O/c1-19(11-4-6-17-9-11)7-5-14(20)18-13-8-10(15)2-3-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyGVVSXDXYTNVTLR-UHFFFAOYSA-N
XLogP2.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63644278
N-(2,5-dichlorophenyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 126819767
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119922827
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine
CID 63301823
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63642324
3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
CID 63636758
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426
N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119916621

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide (CID 63297992) is N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide is CN(CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCNC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide?
The InChIKey is GVVSXDXYTNVTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-19(11-4-6-17-9-11)7-5-14(20)18-13-8-10(15)2-3-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20).
What are the key properties of N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide?
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide has a molecular weight of 316.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 63297992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).