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

C16H17ClN2O — CID 13440646

IUPAC3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1cccc(Cl)c1)c1cc(C)cc(C)n1
InChIInChI=1S/C16H17ClN2O/c1-4-19(15-9-11(2)8-12(3)18-15)16(20)13-6-5-7-14(17)10-13/h5-10H,4H2,1-3H3
InChIKeyYFWRHZHVIRZOPJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.02
Rot. Bonds3

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

3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide (PubChem CID 13440646) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide
PubChem CID13440646
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1cccc(Cl)c1)c1cc(C)cc(C)n1
InChIInChI=1S/C16H17ClN2O/c1-4-19(15-9-11(2)8-12(3)18-15)16(20)13-6-5-7-14(17)10-13/h5-10H,4H2,1-3H3
InChIKeyYFWRHZHVIRZOPJ-UHFFFAOYSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide?
The IUPAC name of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide (CID 13440646) is 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide.
What is the SMILES notation for 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide?
The canonical SMILES for 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide is CCN(C(=O)c1cccc(Cl)c1)c1cc(C)cc(C)n1.
What is the InChIKey of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide?
The InChIKey is YFWRHZHVIRZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-4-19(15-9-11(2)8-12(3)18-15)16(20)13-6-5-7-14(17)10-13/h5-10H,4H2,1-3H3.
What are the key properties of 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide?
3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-dimethyl-2-pyridinyl)-N-ethylbenzamide is sourced from PubChem (CID 13440646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).