N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide

C13H17Cl2N3O — CID 43080000

IUPACN-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)N1CCCC1
InChIInChI=1S/C13H17Cl2N3O/c1-8(18-4-2-3-5-18)13(19)17-12-10(14)6-9(16)7-11(12)15/h6-8H,2-5,16H2,1H3,(H,17,19)
InChIKeyDOJCYEFDNGBCNZ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.00
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide

N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 43080000) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID43080000
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)N1CCCC1
InChIInChI=1S/C13H17Cl2N3O/c1-8(18-4-2-3-5-18)13(19)17-12-10(14)6-9(16)7-11(12)15/h6-8H,2-5,16H2,1H3,(H,17,19)
InChIKeyDOJCYEFDNGBCNZ-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43079943
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43080376
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 46630970
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide (CID 43080000) is N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide is CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)N1CCCC1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is DOJCYEFDNGBCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-8(18-4-2-3-5-18)13(19)17-12-10(14)6-9(16)7-11(12)15/h6-8H,2-5,16H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 302.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 43080000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).