4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide

C19H23ClN2O3 — CID 35031623

IUPAC4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1OCC
InChIInChI=1S/C19H23ClN2O3/c1-4-6-10-25-17-15(20)11-14(12-16(17)24-5-2)19(23)22-18-13(3)8-7-9-21-18/h7-9,11-12H,4-6,10H2,1-3H3,(H,21,22,23)
InChIKeyFUJBJZQRIKANKE-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.87
Rot. Bonds8

About 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide

4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 35031623) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID35031623
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1OCC
InChIInChI=1S/C19H23ClN2O3/c1-4-6-10-25-17-15(20)11-14(12-16(17)24-5-2)19(23)22-18-13(3)8-7-9-21-18/h7-9,11-12H,4-6,10H2,1-3H3,(H,21,22,23)
InChIKeyFUJBJZQRIKANKE-UHFFFAOYSA-N
XLogP4.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 17440573
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
4-butoxy-3-chloro-5-ethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362510
4-ethoxy-3-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 25344175
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide (CID 35031623) is 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ncccc2C)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is FUJBJZQRIKANKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-4-6-10-25-17-15(20)11-14(12-16(17)24-5-2)19(23)22-18-13(3)8-7-9-21-18/h7-9,11-12H,4-6,10H2,1-3H3,(H,21,22,23).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide?
4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 362.86 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35031623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).