N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide

C18H16ClNO4 — CID 6471423

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C18H16ClNO4/c1-4-9-24-13-7-5-12(6-8-13)18(21)20-15-11-16(22-2)14(19)10-17(15)23-3/h1,5-8,10-11H,9H2,2-3H3,(H,20,21)
InChIKeyYZOGUDGBUUBGDW-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.62
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide (PubChem CID 6471423) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
PubChem CID6471423
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C18H16ClNO4/c1-4-9-24-13-7-5-12(6-8-13)18(21)20-15-11-16(22-2)14(19)10-17(15)23-3/h1,5-8,10-11H,9H2,2-3H3,(H,20,21)
InChIKeyYZOGUDGBUUBGDW-UHFFFAOYSA-N
XLogP3.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide 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

N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629
N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
CID 78843025
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
4-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropoxy]benzamide
CID 71863401
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765168
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide (CID 6471423) is N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide?
The InChIKey is YZOGUDGBUUBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-4-9-24-13-7-5-12(6-8-13)18(21)20-15-11-16(22-2)14(19)10-17(15)23-3/h1,5-8,10-11H,9H2,2-3H3,(H,20,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide has a molecular weight of 345.78 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 6471423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).