N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide

C17H15ClN2O3 — CID 16584913

IUPACN-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2Nc3ccccc3OC2=O)c(Cl)c1
InChIInChI=1S/C17H15ClN2O3/c1-10-6-7-12(11(18)8-10)20-16(21)9-14-17(22)23-15-5-3-2-4-13(15)19-14/h2-8,14,19H,9H2,1H3,(H,20,21)
InChIKeyKVDZVOVKWSGORC-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.38
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide (PubChem CID 16584913) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
PubChem CID16584913
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2Nc3ccccc3OC2=O)c(Cl)c1
InChIInChI=1S/C17H15ClN2O3/c1-10-6-7-12(11(18)8-10)20-16(21)9-14-17(22)23-15-5-3-2-4-13(15)19-14/h2-8,14,19H,9H2,1H3,(H,20,21)
InChIKeyKVDZVOVKWSGORC-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 17067524
N-(2,5-dimethylphenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 41452841
2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16584915
N-(4-methyl-3-nitrophenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 17121892
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
2-(azocan-1-ium-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 8583722
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567890
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide (CID 16584913) is N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide is Cc1ccc(NC(=O)CC2Nc3ccccc3OC2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide?
The InChIKey is KVDZVOVKWSGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-10-6-7-12(11(18)8-10)20-16(21)9-14-17(22)23-15-5-3-2-4-13(15)19-14/h2-8,14,19H,9H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide has a molecular weight of 330.77 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)acetamide is sourced from PubChem (CID 16584913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).