4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide

C25H24Cl2N2O4 — CID 46911102

IUPAC4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C(C)(C)NC(=O)c3ccc(Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C25H24Cl2N2O4/c1-25(2,29-23(30)17-6-8-18(26)9-7-17)24(31)28-15-16-4-10-19(11-5-16)33-22-13-12-20(32-3)14-21(22)27/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyJBODRIXRIGZQEE-UHFFFAOYSA-N
MW487.38 g/mol
LogP5.62
Rot. Bonds8

About 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide (PubChem CID 46911102) has the molecular formula C25H24Cl2N2O4 and a molecular weight of 487.38 g/mol. Its IUPAC name is 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide
PubChem CID46911102
Molecular FormulaC25H24Cl2N2O4
Molecular Weight487.38 g/mol
Exact Mass486.11
IUPAC Name4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C(C)(C)NC(=O)c3ccc(Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C25H24Cl2N2O4/c1-25(2,29-23(30)17-6-8-18(26)9-7-17)24(31)28-15-16-4-10-19(11-5-16)33-22-13-12-20(32-3)14-21(22)27/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyJBODRIXRIGZQEE-UHFFFAOYSA-N
XLogP5.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.38
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide (CID 46911102) is 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide is COc1ccc(Oc2ccc(CNC(=O)C(C)(C)NC(=O)c3ccc(Cl)cc3)cc2)c(Cl)c1.
What is the InChIKey of 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide?
The InChIKey is JBODRIXRIGZQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O4/c1-25(2,29-23(30)17-6-8-18(26)9-7-17)24(31)28-15-16-4-10-19(11-5-16)33-22-13-12-20(32-3)14-21(22)27/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide has a molecular weight of 487.38 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[[4-(2-chloro-4-methoxyphenoxy)phenyl]methylamino]-2-methyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46911102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).