N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide

C13H9ClFN3O3 — CID 103297649

IUPACN-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ncccc2Cl)c1F
InChIInChI=1S/C13H9ClFN3O3/c1-7-5-8(18(20)21)6-9(11(7)15)13(19)17-12-10(14)3-2-4-16-12/h2-6H,1H3,(H,16,17,19)
InChIKeySXOSUODENLNMFV-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.34
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide

N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 103297649) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
PubChem CID103297649
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC NameN-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ncccc2Cl)c1F
InChIInChI=1S/C13H9ClFN3O3/c1-7-5-8(18(20)21)6-9(11(7)15)13(19)17-12-10(14)3-2-4-16-12/h2-6H,1H3,(H,16,17,19)
InChIKeySXOSUODENLNMFV-UHFFFAOYSA-N
XLogP3.34
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
CID 107261878
N-(3-chloro-2-pyridinyl)-2-nitrobenzamide
CID 113347276
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
CID 103297109
2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812
N-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297780

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide (CID 103297649) is N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ncccc2Cl)c1F.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is SXOSUODENLNMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c1-7-5-8(18(20)21)6-9(11(7)15)13(19)17-12-10(14)3-2-4-16-12/h2-6H,1H3,(H,16,17,19).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide?
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide has a molecular weight of 309.68 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).