4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide

C14H12ClN3O3 — CID 3565218

IUPAC4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-5-9(2)16-13(6-8)17-14(19)10-3-4-11(15)12(7-10)18(20)21/h3-7H,1-2H3,(H,16,17,19)
InChIKeyUESIAQPNNGFROD-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide

4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide (PubChem CID 3565218) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
PubChem CID3565218
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-5-9(2)16-13(6-8)17-14(19)10-3-4-11(15)12(7-10)18(20)21/h3-7H,1-2H3,(H,16,17,19)
InChIKeyUESIAQPNNGFROD-UHFFFAOYSA-N
XLogP3.51
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.51
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

4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473
4-chloro-3-nitrobenzohydrazide
CID 3704353
4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 75469584
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 8820069
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide (CID 3565218) is 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide is Cc1cc(C)nc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide?
The InChIKey is UESIAQPNNGFROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-5-9(2)16-13(6-8)17-14(19)10-3-4-11(15)12(7-10)18(20)21/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide?
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide has a molecular weight of 305.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 3565218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).