N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide

C15H23Cl2N3O — CID 43294459

IUPACN-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
SMILESCCCCCN(C)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-4-5-6-7-20(3)10(2)15(21)19-14-12(16)8-11(18)9-13(14)17/h8-10H,4-7,18H2,1-3H3,(H,19,21)
InChIKeyZCQSYPCQTJCWNV-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.02
Rot. Bonds7

About N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide

N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide (PubChem CID 43294459) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
PubChem CID43294459
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide
SMILESCCCCCN(C)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H23Cl2N3O/c1-4-5-6-7-20(3)10(2)15(21)19-14-12(16)8-11(18)9-13(14)17/h8-10H,4-7,18H2,1-3H3,(H,19,21)
InChIKeyZCQSYPCQTJCWNV-UHFFFAOYSA-N
XLogP4.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
CID 43098984
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43093302
N-(4-amino-2-chlorophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429181
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82004014
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide (CID 43294459) is N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide is CCCCCN(C)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide?
The InChIKey is ZCQSYPCQTJCWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O/c1-4-5-6-7-20(3)10(2)15(21)19-14-12(16)8-11(18)9-13(14)17/h8-10H,4-7,18H2,1-3H3,(H,19,21).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide?
N-(4-amino-2,6-dichlorophenyl)-2-[methyl(pentyl)amino]propanamide has a molecular weight of 332.28 g/mol, XLogP of 4.02, 7 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-[methyl(pentyl)amino]propanamide is sourced from PubChem (CID 43294459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).