3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide

C22H22ClN3O2 — CID 18349210

IUPAC3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
SMILESCCN(C(=O)c1cc(Cl)cc(OCCNc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C22H22ClN3O2/c1-2-26(20-6-4-3-5-7-20)22(27)17-14-18(23)16-21(15-17)28-13-12-25-19-8-10-24-11-9-19/h3-11,14-16H,2,12-13H2,1H3,(H,24,25)
InChIKeyYVFVFOPTBKPEHC-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.89
Rot. Bonds8

About 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide

3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide (PubChem CID 18349210) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
PubChem CID18349210
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
SMILESCCN(C(=O)c1cc(Cl)cc(OCCNc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C22H22ClN3O2/c1-2-26(20-6-4-3-5-7-20)22(27)17-14-18(23)16-21(15-17)28-13-12-25-19-8-10-24-11-9-19/h3-11,14-16H,2,12-13H2,1H3,(H,24,25)
InChIKeyYVFVFOPTBKPEHC-UHFFFAOYSA-N
XLogP4.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]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

2-[3-chloro-5-[ethyl(phenyl)carbamoyl]phenoxy]ethyl-pyridin-4-ylcarbamic acid
CID 18349022
N-[2-(tert-butylsulfamoyl)ethyl]-3-chloro-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18349125
3-chloro-N-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)ethoxy]-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 54410925
3-chloro-N-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)ethoxy]-N-[3-(tetrazol-2-yl)propyl]benzamide
CID 18348841
3-chloro-N-propan-2-yl-N-[3-(propylsulfonylamino)propyl]-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
CID 18349030
N-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]-3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18349014
N-(3-amino-3-oxopropyl)-3-chloro-N-heptan-4-yl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18348863
4-[2-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-(2-methylpropyl)amino]ethyl]benzoic acid
CID 18348880
2-[3-chloro-5-(dipropylcarbamoyl)phenoxy]ethyl-pyridin-4-ylcarbamic acid
CID 18348957
3-chloro-N-(cyclohexylmethyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
CID 70213710
N-(3-amino-3-oxopropyl)-3-chloro-N-cyclopentyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide
CID 18349094
3-chloro-N-cyclopentyl-N-(2,3-dihydroxypropyl)-5-[2-(pyridin-4-ylamino)ethoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18349034

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
The IUPAC name of 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide (CID 18349210) is 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
The canonical SMILES for 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide is CCN(C(=O)c1cc(Cl)cc(OCCNc2ccncc2)c1)c1ccccc1.
What is the InChIKey of 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
The InChIKey is YVFVFOPTBKPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-2-26(20-6-4-3-5-7-20)22(27)17-14-18(23)16-21(15-17)28-13-12-25-19-8-10-24-11-9-19/h3-11,14-16H,2,12-13H2,1H3,(H,24,25).
What are the key properties of 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide?
3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide has a molecular weight of 395.89 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-phenyl-5-[2-(pyridin-4-ylamino)ethoxy]benzamide is sourced from PubChem (CID 18349210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).