3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide

C11H6Cl2FN3O — CID 114050036

IUPAC3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ncn1)c1cccc(Cl)c1F
InChIInChI=1S/C11H6Cl2FN3O/c12-7-3-1-2-6(10(7)14)11(18)17-9-4-8(13)15-5-16-9/h1-5H,(H,15,16,17,18)
InChIKeyLLSWYQQRTLDWSL-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.17
Rot. Bonds2

About 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide

3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide (PubChem CID 114050036) has the molecular formula C11H6Cl2FN3O and a molecular weight of 286.09 g/mol. Its IUPAC name is 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
PubChem CID114050036
Molecular FormulaC11H6Cl2FN3O
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ncn1)c1cccc(Cl)c1F
InChIInChI=1S/C11H6Cl2FN3O/c12-7-3-1-2-6(10(7)14)11(18)17-9-4-8(13)15-5-16-9/h1-5H,(H,15,16,17,18)
InChIKeyLLSWYQQRTLDWSL-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81267592
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
CID 117075041
2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide
CID 114049171
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
N-(2-amino-6-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81314667
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide?
The IUPAC name of 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide (CID 114050036) is 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide?
The canonical SMILES for 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide is O=C(Nc1cc(Cl)ncn1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide?
The InChIKey is LLSWYQQRTLDWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O/c12-7-3-1-2-6(10(7)14)11(18)17-9-4-8(13)15-5-16-9/h1-5H,(H,15,16,17,18).
What are the key properties of 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide?
3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide has a molecular weight of 286.09 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 114050036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).