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

C14H19Cl2N3O — CID 43263787

IUPACN-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(C1CC1)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-3-19(10-4-5-10)8(2)14(20)18-13-11(16)6-9(15)7-12(13)17/h6-8,10H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyRCWVQKABWHUOMM-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.39
Rot. Bonds5

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

N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide (PubChem CID 43263787) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
PubChem CID43263787
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(C1CC1)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-3-19(10-4-5-10)8(2)14(20)18-13-11(16)6-9(15)7-12(13)17/h6-8,10H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyRCWVQKABWHUOMM-UHFFFAOYSA-N
XLogP3.39
TPSA58.36 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 ≤ 53.39
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)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263776
N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
CID 43098984
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(2-amino-4,6-dichlorophenyl)-3-[cyclopropyl(propyl)amino]propanamide
CID 43269987
2-[cyclopropyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]propanoic acid
CID 122083148
N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43080376
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827
N-(2-amino-4,6-dichlorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 43107186
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide (CID 43263787) is N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide is CCN(C1CC1)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
The InChIKey is RCWVQKABWHUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-3-19(10-4-5-10)8(2)14(20)18-13-11(16)6-9(15)7-12(13)17/h6-8,10H,3-5,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide?
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide has a molecular weight of 316.23 g/mol, XLogP of 3.39, 5 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)-2-[cyclopropyl(ethyl)amino]propanamide is sourced from PubChem (CID 43263787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).