N-(2-chloro-3-pyridinyl)-2-ethylbenzamide

C14H13ClN2O — CID 103817631

IUPACN-(2-chloro-3-pyridinyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClN2O/c1-2-10-6-3-4-7-11(10)14(18)17-12-8-5-9-16-13(12)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyMSVSPCGPRUAJKK-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.55
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-ethylbenzamide

N-(2-chloro-3-pyridinyl)-2-ethylbenzamide (PubChem CID 103817631) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-ethylbenzamide
PubChem CID103817631
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(2-chloro-3-pyridinyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClN2O/c1-2-10-6-3-4-7-11(10)14(18)17-12-8-5-9-16-13(12)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyMSVSPCGPRUAJKK-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-[2-(hydroxymethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 61497876
N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide
CID 62873976

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-ethylbenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-ethylbenzamide (CID 103817631) is N-(2-chloro-3-pyridinyl)-2-ethylbenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-ethylbenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-ethylbenzamide is CCc1ccccc1C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-ethylbenzamide?
The InChIKey is MSVSPCGPRUAJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-10-6-3-4-7-11(10)14(18)17-12-8-5-9-16-13(12)15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-ethylbenzamide?
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-ethylbenzamide is sourced from PubChem (CID 103817631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).