N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide

C17H11ClFN3O — CID 87050714

IUPACN-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN3O/c18-13-5-1-11(2-6-13)16-20-9-15(10-21-16)22-17(23)12-3-7-14(19)8-4-12/h1-10H,(H,22,23)
InChIKeyLYSHNMMIAYUCRX-UHFFFAOYSA-N
MW327.75 g/mol
LogP4.19
Rot. Bonds3

About N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide

N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide (PubChem CID 87050714) has the molecular formula C17H11ClFN3O and a molecular weight of 327.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
PubChem CID87050714
Molecular FormulaC17H11ClFN3O
Molecular Weight327.75 g/mol
Exact Mass327.06
IUPAC NameN-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN3O/c18-13-5-1-11(2-6-13)16-20-9-15(10-21-16)22-17(23)12-3-7-14(19)8-4-12/h1-10H,(H,22,23)
InChIKeyLYSHNMMIAYUCRX-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
CID 137419125
N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
4-chloro-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide;ethene
CID 142517317
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide
CID 87050753
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide
CID 10322602
N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 51065363

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide (CID 87050714) is N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide is O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
The InChIKey is LYSHNMMIAYUCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O/c18-13-5-1-11(2-6-13)16-20-9-15(10-21-16)22-17(23)12-3-7-14(19)8-4-12/h1-10H,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide?
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide has a molecular weight of 327.75 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 87050714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).