N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide

C15H24ClN3O — CID 43272519

IUPACN-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)CCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-4-11(2)19(3)9-5-6-15(20)18-12-7-8-13(16)14(17)10-12/h7-8,10-11H,4-6,9,17H2,1-3H3,(H,18,20)
InChIKeyRIYQARANBJNBQY-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.37
Rot. Bonds7

About N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide

N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide (PubChem CID 43272519) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
PubChem CID43272519
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
SMILESCCC(C)N(C)CCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3O/c1-4-11(2)19(3)9-5-6-15(20)18-12-7-8-13(16)14(17)10-12/h7-8,10-11H,4-6,9,17H2,1-3H3,(H,18,20)
InChIKeyRIYQARANBJNBQY-UHFFFAOYSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.37
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-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985375
N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107748971
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949
N-(3-amino-4-chlorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61289260
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753767
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide (CID 43272519) is N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide is CCC(C)N(C)CCCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide?
The InChIKey is RIYQARANBJNBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-11(2)19(3)9-5-6-15(20)18-12-7-8-13(16)14(17)10-12/h7-8,10-11H,4-6,9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide?
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide has a molecular weight of 297.83 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide is sourced from PubChem (CID 43272519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).