N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide

C14H13ClN2O — CID 103892998

IUPACN-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ncccc2Cl)c(C)c1
InChIInChI=1S/C14H13ClN2O/c1-9-5-6-11(10(2)8-9)14(18)17-13-12(15)4-3-7-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyFPXCBXGCTSOLOV-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.60
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide

N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide (PubChem CID 103892998) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
PubChem CID103892998
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ncccc2Cl)c(C)c1
InChIInChI=1S/C14H13ClN2O/c1-9-5-6-11(10(2)8-9)14(18)17-13-12(15)4-3-7-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyFPXCBXGCTSOLOV-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-methoxy-5-methylbenzamide
CID 113356136
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103943532
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
5-acetamido-2-chloro-N-(3-chloro-2-pyridinyl)benzamide
CID 86783432
2,4-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 836075
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103893012
5-chloro-N-(3-chloro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 103094800
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide (CID 103892998) is N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ncccc2Cl)c(C)c1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide?
The InChIKey is FPXCBXGCTSOLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-5-6-11(10(2)8-9)14(18)17-13-12(15)4-3-7-16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide?
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 103892998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).