N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

C16H15Cl2N3O2 — CID 122263792

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C16H15Cl2N3O2/c17-11-3-4-15(13(18)5-11)23-8-16(22)19-7-12-6-14(10-1-2-10)21-9-20-12/h3-6,9-10H,1-2,7-8H2,(H,19,22)
InChIKeyJOTMZRFZCPPDLV-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.36
Rot. Bonds6

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 122263792) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID122263792
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C16H15Cl2N3O2/c17-11-3-4-15(13(18)5-11)23-8-16(22)19-7-12-6-14(10-1-2-10)21-9-20-12/h3-6,9-10H,1-2,7-8H2,(H,19,22)
InChIKeyJOTMZRFZCPPDLV-UHFFFAOYSA-N
XLogP3.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 71808607
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 122263826
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 110718005
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
2-(2,4-dichlorophenoxy)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569546
2-(2,4-dichlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 30608039
1-(3-chlorophenyl)-3-[(6-cyclopropylpyrimidin-4-yl)methyl]urea
CID 122264066
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
2-(2,4-dichlorophenoxy)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]acetamide
CID 110671199

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 122263792) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCc1cc(C2CC2)ncn1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is JOTMZRFZCPPDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-11-3-4-15(13(18)5-11)23-8-16(22)19-7-12-6-14(10-1-2-10)21-9-20-12/h3-6,9-10H,1-2,7-8H2,(H,19,22).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 352.22 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 122263792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).