4-butoxy-N-(2-chloro-4-pyridinyl)benzamide

C16H17ClN2O2 — CID 103606840

IUPAC4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccnc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-10-21-14-6-4-12(5-7-14)16(20)19-13-8-9-18-15(17)11-13/h4-9,11H,2-3,10H2,1H3,(H,18,19,20)
InChIKeyHXWFMOAKHNPZAM-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.17
Rot. Bonds6

About 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide

4-butoxy-N-(2-chloro-4-pyridinyl)benzamide (PubChem CID 103606840) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
PubChem CID103606840
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccnc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-10-21-14-6-4-12(5-7-14)16(20)19-13-8-9-18-15(17)11-13/h4-9,11H,2-3,10H2,1H3,(H,18,19,20)
InChIKeyHXWFMOAKHNPZAM-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
4-butoxy-N-pyrazolo[1,5-a]pyridin-5-ylbenzamide
CID 86266822
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
CID 115608608
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide?
The IUPAC name of 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide (CID 103606840) is 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccnc(Cl)c2)cc1.
What is the InChIKey of 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide?
The InChIKey is HXWFMOAKHNPZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-3-10-21-14-6-4-12(5-7-14)16(20)19-13-8-9-18-15(17)11-13/h4-9,11H,2-3,10H2,1H3,(H,18,19,20).
What are the key properties of 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide?
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-chloro-4-pyridinyl)benzamide is sourced from PubChem (CID 103606840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).