3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

C25H27ClN2O4 — CID 46470536

IUPAC3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C25H27ClN2O4/c1-4-12-31-24-22(26)13-20(14-23(24)30-3)25(29)28-17(2)19-7-9-21(10-8-19)32-16-18-6-5-11-27-15-18/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,28,29)
InChIKeyAPPFBJGAKOPLKR-UHFFFAOYSA-N
MW454.95 g/mol
LogP5.60
Rot. Bonds10

About 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 46470536) has the molecular formula C25H27ClN2O4 and a molecular weight of 454.95 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID46470536
Molecular FormulaC25H27ClN2O4
Molecular Weight454.95 g/mol
Exact Mass454.17
IUPAC Name3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCCCOc1c(Cl)cc(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)cc1OC
InChIInChI=1S/C25H27ClN2O4/c1-4-12-31-24-22(26)13-20(14-23(24)30-3)25(29)28-17(2)19-7-9-21(10-8-19)32-16-18-6-5-11-27-15-18/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,28,29)
InChIKeyAPPFBJGAKOPLKR-UHFFFAOYSA-N
XLogP5.60
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.95
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]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

methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26746199
3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461561
methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 55838885
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (CID 46470536) is 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is CCCOc1c(Cl)cc(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is APPFBJGAKOPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4/c1-4-12-31-24-22(26)13-20(14-23(24)30-3)25(29)28-17(2)19-7-9-21(10-8-19)32-16-18-6-5-11-27-15-18/h5-11,13-15,17H,4,12,16H2,1-3H3,(H,28,29).
What are the key properties of 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 454.95 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 46470536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).