3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide

C22H19Cl2N3O3 — CID 78889118

IUPAC3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H19Cl2N3O3/c23-19-7-6-17(12-20(19)24)22(29)27-10-9-26-21(28)16-4-1-5-18(11-16)30-14-15-3-2-8-25-13-15/h1-8,11-13H,9-10,14H2,(H,26,28)(H,27,29)
InChIKeyLPUZFRFQZZDPHM-UHFFFAOYSA-N
MW444.32 g/mol
LogP4.13
Rot. Bonds8

About 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide

3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide (PubChem CID 78889118) has the molecular formula C22H19Cl2N3O3 and a molecular weight of 444.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
PubChem CID78889118
Molecular FormulaC22H19Cl2N3O3
Molecular Weight444.32 g/mol
Exact Mass443.08
IUPAC Name3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H19Cl2N3O3/c23-19-7-6-17(12-20(19)24)22(29)27-10-9-26-21(28)16-4-1-5-18(11-16)30-14-15-3-2-8-25-13-15/h1-8,11-13H,9-10,14H2,(H,26,28)(H,27,29)
InChIKeyLPUZFRFQZZDPHM-UHFFFAOYSA-N
XLogP4.13
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]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

N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
CID 60520711
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47091227
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide (CID 78889118) is 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide?
The InChIKey is LPUZFRFQZZDPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O3/c23-19-7-6-17(12-20(19)24)22(29)27-10-9-26-21(28)16-4-1-5-18(11-16)30-14-15-3-2-8-25-13-15/h1-8,11-13H,9-10,14H2,(H,26,28)(H,27,29).
What are the key properties of 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide?
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide has a molecular weight of 444.32 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 78889118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).