N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide

C17H9ClF3N3O2 — CID 175725003

IUPACN-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ncnc(Oc2ccccc2F)c1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C17H9ClF3N3O2/c18-14-15(24-16(25)9-5-6-10(19)12(21)7-9)22-8-23-17(14)26-13-4-2-1-3-11(13)20/h1-8H,(H,22,23,24,25)
InChIKeyZQNONVZVWAUJRL-UHFFFAOYSA-N
MW379.73 g/mol
LogP4.59
Rot. Bonds4

About N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide

N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide (PubChem CID 175725003) has the molecular formula C17H9ClF3N3O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide
PubChem CID175725003
Molecular FormulaC17H9ClF3N3O2
Molecular Weight379.73 g/mol
Exact Mass379.03
IUPAC NameN-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ncnc(Oc2ccccc2F)c1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C17H9ClF3N3O2/c18-14-15(24-16(25)9-5-6-10(19)12(21)7-9)22-8-23-17(14)26-13-4-2-1-3-11(13)20/h1-8H,(H,22,23,24,25)
InChIKeyZQNONVZVWAUJRL-UHFFFAOYSA-N
XLogP4.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide
CID 175746842
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
N-[2-(2-fluorophenoxy)-3-pyridinyl]-1H-indole-5-carboxamide
CID 155909547
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide (CID 175725003) is N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide is O=C(Nc1ncnc(Oc2ccccc2F)c1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide?
The InChIKey is ZQNONVZVWAUJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3O2/c18-14-15(24-16(25)9-5-6-10(19)12(21)7-9)22-8-23-17(14)26-13-4-2-1-3-11(13)20/h1-8H,(H,22,23,24,25).
What are the key properties of N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide?
N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide has a molecular weight of 379.73 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 175725003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).