N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide

C13H18ClN3O2 — CID 62987910

IUPACN-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCOCC1
InChIInChI=1S/C13H18ClN3O2/c14-10-2-3-11(15)12(8-10)16-13(18)9-17-4-1-6-19-7-5-17/h2-3,8H,1,4-7,9,15H2,(H,16,18)
InChIKeyALQOZMZFPJSPDC-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.58
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide

N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide (PubChem CID 62987910) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
PubChem CID62987910
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
SMILESNc1ccc(Cl)cc1NC(=O)CN1CCCOCC1
InChIInChI=1S/C13H18ClN3O2/c14-10-2-3-11(15)12(8-10)16-13(18)9-17-4-1-6-19-7-5-17/h2-3,8H,1,4-7,9,15H2,(H,16,18)
InChIKeyALQOZMZFPJSPDC-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 43584981
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
N-(2-amino-5-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 112624444
N-(2,5-dichlorophenyl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 6457048
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide (CID 62987910) is N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide is Nc1ccc(Cl)cc1NC(=O)CN1CCCOCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide?
The InChIKey is ALQOZMZFPJSPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-10-2-3-11(15)12(8-10)16-13(18)9-17-4-1-6-19-7-5-17/h2-3,8H,1,4-7,9,15H2,(H,16,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide?
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide is sourced from PubChem (CID 62987910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).