N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide

C16H17ClN2O2 — CID 54787953

IUPACN-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-11(2)10-21-14-6-3-12(4-7-14)16(20)19-13-5-8-15(17)18-9-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyFQWPHJIBPRXGJQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.02
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide

N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide (PubChem CID 54787953) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
PubChem CID54787953
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-11(2)10-21-14-6-3-12(4-7-14)16(20)19-13-5-8-15(17)18-9-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyFQWPHJIBPRXGJQ-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.02
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

N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide
CID 110178942
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
CID 2263896
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide (CID 54787953) is N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is FQWPHJIBPRXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(2)10-21-14-6-3-12(4-7-14)16(20)19-13-5-8-15(17)18-9-13/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide?
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 304.78 g/mol, XLogP of 4.02, 5 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-(2-methylpropoxy)benzamide is sourced from PubChem (CID 54787953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).