3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

C20H23ClN2O4 — CID 2178714

IUPAC3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)13-7-10-17(26-2)15(21)11-13/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZOHWCTNMOJEAHI-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.74
Rot. Bonds8

About 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (PubChem CID 2178714) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
PubChem CID2178714
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)13-7-10-17(26-2)15(21)11-13/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZOHWCTNMOJEAHI-UHFFFAOYSA-N
XLogP4.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 3776414
3-chloro-N-[[4-(hexanoylamino)phenyl]carbamothioyl]-4-methoxybenzamide
CID 91310284
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
2-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 21215486
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 22778783
butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
CID 44871422
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (CID 2178714) is 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1OC.
What is the InChIKey of 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The InChIKey is ZOHWCTNMOJEAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)13-7-10-17(26-2)15(21)11-13/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide has a molecular weight of 390.87 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is sourced from PubChem (CID 2178714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).