N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide

C13H20ClN3O — CID 43262963

IUPACN-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
SMILESCCN(C)CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-17(2)8-4-5-13(18)16-12-7-6-10(15)9-11(12)14/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18)
InChIKeyXNYDGIKNWRDSJL-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.59
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide

N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide (PubChem CID 43262963) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
PubChem CID43262963
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
SMILESCCN(C)CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-3-17(2)8-4-5-13(18)16-12-7-6-10(15)9-11(12)14/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18)
InChIKeyXNYDGIKNWRDSJL-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.59
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-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62985316
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945
N-(4-amino-2,6-dichlorophenyl)-4-[butyl(methyl)amino]butanamide
CID 29271711
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide (CID 43262963) is N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide is CCN(C)CCCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide?
The InChIKey is XNYDGIKNWRDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-17(2)8-4-5-13(18)16-12-7-6-10(15)9-11(12)14/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide?
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide has a molecular weight of 269.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide is sourced from PubChem (CID 43262963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).