N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide

C15H21Cl2N3O — CID 43269987

IUPACN-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1c(N)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-6-20(11-3-4-11)7-5-14(21)19-15-12(17)8-10(16)9-13(15)18/h8-9,11H,2-7,18H2,1H3,(H,19,21)
InChIKeyDVUHEMMISXIZDG-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.78
Rot. Bonds7

About N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide

N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide (PubChem CID 43269987) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
PubChem CID43269987
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1c(N)cc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-6-20(11-3-4-11)7-5-14(21)19-15-12(17)8-10(16)9-13(15)18/h8-9,11H,2-7,18H2,1H3,(H,19,21)
InChIKeyDVUHEMMISXIZDG-UHFFFAOYSA-N
XLogP3.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.78
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-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 119932936
N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 79380076
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263787
N-(2-amino-4,6-dichlorophenyl)-4-[ethyl(2-hydroxyethyl)amino]butanamide
CID 60981032
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61428718

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide (CID 43269987) is N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide is CCCN(CCC(=O)Nc1c(N)cc(Cl)cc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide?
The InChIKey is DVUHEMMISXIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-6-20(11-3-4-11)7-5-14(21)19-15-12(17)8-10(16)9-13(15)18/h8-9,11H,2-7,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide?
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide has a molecular weight of 330.26 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide is sourced from PubChem (CID 43269987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).