2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide

C16H17ClN4O3 — CID 171348439

IUPAC2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(CCl)Nc1cccc(Oc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C16H17ClN4O3/c17-10-15(22)20-12-2-1-3-13(8-12)24-16-9-14(18-11-19-16)21-4-6-23-7-5-21/h1-3,8-9,11H,4-7,10H2,(H,20,22)
InChIKeyVYGCUQLICVIAEH-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.28
Rot. Bonds5

About 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide

2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 171348439) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID171348439
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESO=C(CCl)Nc1cccc(Oc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C16H17ClN4O3/c17-10-15(22)20-12-2-1-3-13(8-12)24-16-9-14(18-11-19-16)21-4-6-23-7-5-21/h1-3,8-9,11H,4-7,10H2,(H,20,22)
InChIKeyVYGCUQLICVIAEH-UHFFFAOYSA-N
XLogP2.28
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399
2-chloro-N-(5-chloro-2-morpholin-4-yl-4-pyridinyl)acetamide
CID 139405306
2-(3-chloro-2-morpholin-4-ylanilino)-N-(3-methoxyphenyl)acetamide
CID 39998814
4-[2-[4-[6-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl]morpholine
CID 46133605
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42806325
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-[4-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 172882295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide (CID 171348439) is 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide is O=C(CCl)Nc1cccc(Oc2cc(N3CCOCC3)ncn2)c1.
What is the InChIKey of 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is VYGCUQLICVIAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-10-15(22)20-12-2-1-3-13(8-12)24-16-9-14(18-11-19-16)21-4-6-23-7-5-21/h1-3,8-9,11H,4-7,10H2,(H,20,22).
What are the key properties of 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide?
2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 348.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 171348439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).