N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide

C14H13ClN2O2 — CID 54787908

IUPACN-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-2-19-12-6-3-10(4-7-12)14(18)17-11-5-8-13(15)16-9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeySBGJDMSDYWONCO-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.39
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide

N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide (PubChem CID 54787908) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
PubChem CID54787908
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C14H13ClN2O2/c1-2-19-12-6-3-10(4-7-12)14(18)17-11-5-8-13(15)16-9-11/h3-9H,2H2,1H3,(H,17,18)
InChIKeySBGJDMSDYWONCO-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
N-[(6-chloro-3-pyridinyl)carbamothioyl]-4-pentoxybenzamide
CID 54788165

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide (CID 54787908) is N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide?
The InChIKey is SBGJDMSDYWONCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-19-12-6-3-10(4-7-12)14(18)17-11-5-8-13(15)16-9-11/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide?
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide has a molecular weight of 276.72 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide is sourced from PubChem (CID 54787908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).