4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide

C17H11ClFN3O2 — CID 47051312

IUPAC4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H11ClFN3O2/c18-11-2-7-14(15(19)10-11)16(23)22-12-3-5-13(6-4-12)24-17-20-8-1-9-21-17/h1-10H,(H,22,23)
InChIKeyPAKSHBGCRZHKMQ-UHFFFAOYSA-N
MW343.75 g/mol
LogP4.31
Rot. Bonds4

About 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide

4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide (PubChem CID 47051312) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
PubChem CID47051312
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H11ClFN3O2/c18-11-2-7-14(15(19)10-11)16(23)22-12-3-5-13(6-4-12)24-17-20-8-1-9-21-17/h1-10H,(H,22,23)
InChIKeyPAKSHBGCRZHKMQ-UHFFFAOYSA-N
XLogP4.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-fluoro-4-pyrimidin-2-yloxybenzoyl chloride
CID 172533586
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide
CID 47051300
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-(4-chlorophenyl)-6-fluoroquinoline-7-carboxamide
CID 142343829
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide (CID 47051312) is 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide is O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The InChIKey is PAKSHBGCRZHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-11-2-7-14(15(19)10-11)16(23)22-12-3-5-13(6-4-12)24-17-20-8-1-9-21-17/h1-10H,(H,22,23).
What are the key properties of 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide has a molecular weight of 343.75 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 47051312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).