N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide

C17H10ClF2N3O — CID 87050753

IUPACN-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cc(F)ccc1F
InChIInChI=1S/C17H10ClF2N3O/c18-11-3-1-2-10(6-11)16-21-8-13(9-22-16)23-17(24)14-7-12(19)4-5-15(14)20/h1-9H,(H,23,24)
InChIKeyFBWLKGNYUATIIL-UHFFFAOYSA-N
MW345.74 g/mol
LogP4.33
Rot. Bonds3

About N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide

N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide (PubChem CID 87050753) has the molecular formula C17H10ClF2N3O and a molecular weight of 345.74 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide
PubChem CID87050753
Molecular FormulaC17H10ClF2N3O
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC NameN-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide
SMILESO=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cc(F)ccc1F
InChIInChI=1S/C17H10ClF2N3O/c18-11-3-1-2-10(6-11)16-21-8-13(9-22-16)23-17(24)14-7-12(19)4-5-15(14)20/h1-9H,(H,23,24)
InChIKeyFBWLKGNYUATIIL-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050750
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
6-chloro-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1H-indole-2-carboxamide
CID 56520260
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide (CID 87050753) is N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide is O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide?
The InChIKey is FBWLKGNYUATIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N3O/c18-11-3-1-2-10(6-11)16-21-8-13(9-22-16)23-17(24)14-7-12(19)4-5-15(14)20/h1-9H,(H,23,24).
What are the key properties of N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide?
N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide has a molecular weight of 345.74 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 87050753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).