N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide

C14H20ClN3O — CID 16779269

IUPACN-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
SMILESNc1cc(NC(=O)CN2CCCCCC2)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-6-5-11(9-13(12)16)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10,16H2,(H,17,19)
InChIKeyLJADTHVAYPKRRT-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide

N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide (PubChem CID 16779269) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
PubChem CID16779269
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
SMILESNc1cc(NC(=O)CN2CCCCCC2)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-6-5-11(9-13(12)16)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10,16H2,(H,17,19)
InChIKeyLJADTHVAYPKRRT-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
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)-2-thiomorpholin-4-ylacetamide
CID 28786787
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-amino-4-chlorophenyl)acetamide
CID 79928265
N-(3-amino-4-chlorophenyl)azepane-1-carboxamide
CID 79152618
N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63605035
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(3-amino-4-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 64577650
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide (CID 16779269) is N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide is Nc1cc(NC(=O)CN2CCCCCC2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide?
The InChIKey is LJADTHVAYPKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-6-5-11(9-13(12)16)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10,16H2,(H,17,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide?
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 3 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)-2-(azepan-1-yl)acetamide is sourced from PubChem (CID 16779269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).