N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide

C11H7ClFN3O — CID 54265719

IUPACN-(5-chloropyrimidin-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1ncc(Cl)cn1)c1cccc(F)c1
InChIInChI=1S/C11H7ClFN3O/c12-8-5-14-11(15-6-8)16-10(17)7-2-1-3-9(13)4-7/h1-6H,(H,14,15,16,17)
InChIKeyRGPKQOGMTOYQFA-UHFFFAOYSA-N
MW251.65 g/mol
LogP2.52
Rot. Bonds2

About N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide

N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide (PubChem CID 54265719) has the molecular formula C11H7ClFN3O and a molecular weight of 251.65 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)-3-fluorobenzamide
PubChem CID54265719
Molecular FormulaC11H7ClFN3O
Molecular Weight251.65 g/mol
Exact Mass251.03
IUPAC NameN-(5-chloropyrimidin-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1ncc(Cl)cn1)c1cccc(F)c1
InChIInChI=1S/C11H7ClFN3O/c12-8-5-14-11(15-6-8)16-10(17)7-2-1-3-9(13)4-7/h1-6H,(H,14,15,16,17)
InChIKeyRGPKQOGMTOYQFA-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
CID 16776319
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
N-(3,4-dichlorophenyl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 164589476
N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide
CID 15990271
3-fluoro-N-hydroxybenzamide
CID 5082377
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide (CID 54265719) is N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide is O=C(Nc1ncc(Cl)cn1)c1cccc(F)c1.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide?
The InChIKey is RGPKQOGMTOYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O/c12-8-5-14-11(15-6-8)16-10(17)7-2-1-3-9(13)4-7/h1-6H,(H,14,15,16,17).
What are the key properties of N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide?
N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide has a molecular weight of 251.65 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 54265719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).