4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide

C17H19ClN2O — CID 107301135

IUPAC4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19ClN2O/c1-11-14(9-10-15(18)19-11)20-16(21)12-5-7-13(8-6-12)17(2,3)4/h5-10H,1-4H3,(H,20,21)
InChIKeyMGMWQQADFDYTRX-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.59
Rot. Bonds2

About 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide

4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide (PubChem CID 107301135) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
PubChem CID107301135
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
SMILESCc1nc(Cl)ccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H19ClN2O/c1-11-14(9-10-15(18)19-11)20-16(21)12-5-7-13(8-6-12)17(2,3)4/h5-10H,1-4H3,(H,20,21)
InChIKeyMGMWQQADFDYTRX-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.59
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-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269
N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 107301415
4-tert-butyl-N-[5-(6-chloro-3-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692648
5-chloro-N-(6-chloro-2-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107329768
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
2-bromo-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301024
4-tert-butyl-N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzamide
CID 59175581
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide (CID 107301135) is 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide is Cc1nc(Cl)ccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
The InChIKey is MGMWQQADFDYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-14(9-10-15(18)19-11)20-16(21)12-5-7-13(8-6-12)17(2,3)4/h5-10H,1-4H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide?
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide has a molecular weight of 302.81 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 107301135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).