N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

C19H19ClN2O2 — CID 46276054

IUPACN-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-13-9-10-15(20)11-16(13)21-18(23)12-22-17-7-3-2-5-14(17)6-4-8-19(22)24/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,21,23)
InChIKeyXZHXWSLGXRTFPZ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.96
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (PubChem CID 46276054) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
PubChem CID46276054
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H19ClN2O2/c1-13-9-10-15(20)11-16(13)21-18(23)12-22-17-7-3-2-5-14(17)6-4-8-19(22)24/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,21,23)
InChIKeyXZHXWSLGXRTFPZ-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276059
N-(5-chloro-2-methylphenyl)-2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51046957
N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 20952913
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221
N-(5-chloro-2-methylphenyl)-2-(4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)acetamide
CID 53033322
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630058
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831147
N-[(4-methylphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276056
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
N-(2,4-difluorophenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126458852
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (CID 46276054) is N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1C(=O)CCCc2ccccc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The InChIKey is XZHXWSLGXRTFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-9-10-15(20)11-16(13)21-18(23)12-22-17-7-3-2-5-14(17)6-4-8-19(22)24/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide has a molecular weight of 342.83 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is sourced from PubChem (CID 46276054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).