2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide

C10H11ClN2O2 — CID 167119083

IUPAC2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
SMILESO=C(CCl)Nc1cccc2c1OCCN2
InChIInChI=1S/C10H11ClN2O2/c11-6-9(14)13-8-3-1-2-7-10(8)15-5-4-12-7/h1-3,12H,4-6H2,(H,13,14)
InChIKeyNZAFLCVWBPEPFA-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.67
Rot. Bonds2

About 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide

2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide (PubChem CID 167119083) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
PubChem CID167119083
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
SMILESO=C(CCl)Nc1cccc2c1OCCN2
InChIInChI=1S/C10H11ClN2O2/c11-6-9(14)13-8-3-1-2-7-10(8)15-5-4-12-7/h1-3,12H,4-6H2,(H,13,14)
InChIKeyNZAFLCVWBPEPFA-UHFFFAOYSA-N
XLogP1.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-benzodioxin-5-yl)-2-chloroacetamide
CID 91313181
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
4-(3,4-dihydro-2H-1,4-benzoxazine-8-carbonylamino)-2-hydroxybutanoic acid
CID 107836065
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114387518
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114332154
2-(5-chloro-2-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 103052467
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114912509
8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 177141875
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide (CID 167119083) is 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide is O=C(CCl)Nc1cccc2c1OCCN2.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
The InChIKey is NZAFLCVWBPEPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-6-9(14)13-8-3-1-2-7-10(8)15-5-4-12-7/h1-3,12H,4-6H2,(H,13,14).
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide?
2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide has a molecular weight of 226.66 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide is sourced from PubChem (CID 167119083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).