2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide

C18H12ClF2N3O2 — CID 122303113

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C18H12ClF2N3O2/c19-13-4-3-6-14(20)12(13)8-17(25)24-11-9-22-18(23-10-11)26-16-7-2-1-5-15(16)21/h1-7,9-10H,8H2,(H,24,25)
InChIKeyQTRHGLJBQLLFCT-UHFFFAOYSA-N
MW375.76 g/mol
LogP4.38
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide (PubChem CID 122303113) has the molecular formula C18H12ClF2N3O2 and a molecular weight of 375.76 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide
PubChem CID122303113
Molecular FormulaC18H12ClF2N3O2
Molecular Weight375.76 g/mol
Exact Mass375.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C18H12ClF2N3O2/c19-13-4-3-6-14(20)12(13)8-17(25)24-11-9-22-18(23-10-11)26-16-7-2-1-5-15(16)21/h1-7,9-10H,8H2,(H,24,25)
InChIKeyQTRHGLJBQLLFCT-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
2-(2-chloro-6-fluorophenyl)-N-[6-(2,4-difluorophenoxy)-3-pyridinyl]acetamide
CID 154872994
1-(2-chlorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 71799863
2-(2-chloro-6-fluorophenyl)-N-(4-phenoxyphenyl)acetamide
CID 7914940
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122302986
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide (CID 122303113) is 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide is O=C(Cc1c(F)cccc1Cl)Nc1cnc(Oc2ccccc2F)nc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide?
The InChIKey is QTRHGLJBQLLFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2/c19-13-4-3-6-14(20)12(13)8-17(25)24-11-9-22-18(23-10-11)26-16-7-2-1-5-15(16)21/h1-7,9-10H,8H2,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide has a molecular weight of 375.76 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122303113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).