2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide

C13H20ClN3O — CID 63747289

IUPAC2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)Cc1c(N)cccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-2-3-7-17(9-13(16)18)8-10-11(14)5-4-6-12(10)15/h4-6H,2-3,7-9,15H2,1H3,(H2,16,18)
InChIKeyLMJVWQMFSWLXSB-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.01
Rot. Bonds7

About 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide

2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide (PubChem CID 63747289) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide
PubChem CID63747289
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)Cc1c(N)cccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-2-3-7-17(9-13(16)18)8-10-11(14)5-4-6-12(10)15/h4-6H,2-3,7-9,15H2,1H3,(H2,16,18)
InChIKeyLMJVWQMFSWLXSB-UHFFFAOYSA-N
XLogP2.01
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
CID 63658073
2-[(2-amino-4-chlorophenyl)methyl-butylamino]acetamide
CID 55037491
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
2-butyl-3-chloroaniline
CID 14012386
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
CID 62890626
2-[(3-bromo-2,6-difluorophenyl)methyl-butylamino]acetamide
CID 106268829
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 81053515
2-[(4-amino-3-nitrophenyl)methyl-butylamino]acetamide
CID 62184585
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide?
The IUPAC name of 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide (CID 63747289) is 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide?
The canonical SMILES for 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide is CCCCN(CC(N)=O)Cc1c(N)cccc1Cl.
What is the InChIKey of 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide?
The InChIKey is LMJVWQMFSWLXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-3-7-17(9-13(16)18)8-10-11(14)5-4-6-12(10)15/h4-6H,2-3,7-9,15H2,1H3,(H2,16,18).
What are the key properties of 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide?
2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide has a molecular weight of 269.78 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide is sourced from PubChem (CID 63747289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).