2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide

C12H7ClF2N2O — CID 59618586

IUPAC2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C12H7ClF2N2O/c13-11-9(15)2-1-8(14)10(11)12(18)17-7-3-5-16-6-4-7/h1-6H,(H,16,17,18)
InChIKeyBPNINJAZZUXGRJ-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide

2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide (PubChem CID 59618586) has the molecular formula C12H7ClF2N2O and a molecular weight of 268.65 g/mol. Its IUPAC name is 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
PubChem CID59618586
Molecular FormulaC12H7ClF2N2O
Molecular Weight268.65 g/mol
Exact Mass268.02
IUPAC Name2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1c(F)ccc(F)c1Cl
InChIInChI=1S/C12H7ClF2N2O/c13-11-9(15)2-1-8(14)10(11)12(18)17-7-3-5-16-6-4-7/h1-6H,(H,16,17,18)
InChIKeyBPNINJAZZUXGRJ-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2,3,6-trichloro-N-pyridin-4-ylbenzamide
CID 59618030
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide
CID 59618078
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
2-(2-chloro-3-fluorophenyl)-N-pyridin-4-ylacetamide
CID 166927626
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
5-chloro-1-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 27699924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide (CID 59618586) is 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1c(F)ccc(F)c1Cl.
What is the InChIKey of 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide?
The InChIKey is BPNINJAZZUXGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O/c13-11-9(15)2-1-8(14)10(11)12(18)17-7-3-5-16-6-4-7/h1-6H,(H,16,17,18).
What are the key properties of 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide?
2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide has a molecular weight of 268.65 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-difluoro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59618586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).