2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide

C18H19ClN2O2 — CID 110729885

IUPAC2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCN1CCOc2ccccc21
InChIInChI=1S/C18H19ClN2O2/c19-15-7-5-14(6-8-15)13-18(22)20-9-10-21-11-12-23-17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,20,22)
InChIKeyPHHSVEUHNNLOAB-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide (PubChem CID 110729885) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide
PubChem CID110729885
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCN1CCOc2ccccc21
InChIInChI=1S/C18H19ClN2O2/c19-15-7-5-14(6-8-15)13-18(22)20-9-10-21-11-12-23-17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,20,22)
InChIKeyPHHSVEUHNNLOAB-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110729912
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-2-phenoxyacetamide
CID 110729888
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-phenoxypropanamide
CID 110729890
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947616
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 110707245
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
(3R)-3-(4-chlorophenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-phenylpropanamide
CID 42123602
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
4-chloro-N-[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutyl]benzamide
CID 32611678
2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 142461387
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110397785
N-[2-(4-chlorophenyl)ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377766

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide (CID 110729885) is 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCN1CCOc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide?
The InChIKey is PHHSVEUHNNLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-7-5-14(6-8-15)13-18(22)20-9-10-21-11-12-23-17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide has a molecular weight of 330.82 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide is sourced from PubChem (CID 110729885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).