2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

C23H18ClN5O2 — CID 177190714

IUPAC2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C23H18ClN5O2/c24-17-6-8-20(9-7-17)31-15-22(30)27-18-4-1-5-19(13-18)28-23-26-12-10-21(29-23)16-3-2-11-25-14-16/h1-14H,15H2,(H,27,30)(H,26,28,29)
InChIKeyCDZSGPUNLDRCBQ-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.95
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 177190714) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID177190714
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C23H18ClN5O2/c24-17-6-8-20(9-7-17)31-15-22(30)27-18-4-1-5-19(13-18)28-23-26-12-10-21(29-23)16-3-2-11-25-14-16/h1-14H,15H2,(H,27,30)(H,26,28,29)
InChIKeyCDZSGPUNLDRCBQ-UHFFFAOYSA-N
XLogP4.95
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190662
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
CID 73345816
ethyl 4-[2-oxo-2-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]ethyl]piperazine-1-carboxylate
CID 11503566
1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
2-(4-chlorophenoxy)-N-[3-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668566
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
N-[4-methyl-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-(4-nitrophenoxy)acetamide
CID 177190723
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 177190714) is 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is CDZSGPUNLDRCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-17-6-8-20(9-7-17)31-15-22(30)27-18-4-1-5-19(13-18)28-23-26-12-10-21(29-23)16-3-2-11-25-14-16/h1-14H,15H2,(H,27,30)(H,26,28,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 431.88 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 177190714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).