N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

C14H17ClN2O3 — CID 15995960

IUPACN-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClN2O3/c1-2-3-6-16-13(18)8-17-11-7-10(15)4-5-12(11)20-9-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyMYIYWRAPIMJCCZ-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.98
Rot. Bonds5

About N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 15995960) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID15995960
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C14H17ClN2O3/c1-2-3-6-16-13(18)8-17-11-7-10(15)4-5-12(11)20-9-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyMYIYWRAPIMJCCZ-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507
N-butyl-2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 122175525
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-hexylacetamide
CID 3411032
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 23409557
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 46970801
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 37360924
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 38900893
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 1263385
2-[7-(aminomethyl)-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide
CID 82338764
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32607513

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 15995960) is N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCCCNC(=O)CN1C(=O)COc2ccc(Cl)cc21.
What is the InChIKey of N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is MYIYWRAPIMJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-2-3-6-16-13(18)8-17-11-7-10(15)4-5-12(11)20-9-14(17)19/h4-5,7H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 296.75 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 15995960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).