2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide

C31H28Cl2N2O4 — CID 4944300

IUPAC2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C31H28Cl2N2O4/c1-20(38-28-15-7-24(32)8-16-28)30(36)34-26-11-3-22(4-12-26)19-23-5-13-27(14-6-23)35-31(37)21(2)39-29-17-9-25(33)10-18-29/h3-18,20-21H,19H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyFUKXUFDZQDUNJG-UHFFFAOYSA-N
MW563.48 g/mol
LogP7.40
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide (PubChem CID 4944300) has the molecular formula C31H28Cl2N2O4 and a molecular weight of 563.48 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
PubChem CID4944300
Molecular FormulaC31H28Cl2N2O4
Molecular Weight563.48 g/mol
Exact Mass562.14
IUPAC Name2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C31H28Cl2N2O4/c1-20(38-28-15-7-24(32)8-16-28)30(36)34-26-11-3-22(4-12-26)19-23-5-13-27(14-6-23)35-31(37)21(2)39-29-17-9-25(33)10-18-29/h3-18,20-21H,19H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyFUKXUFDZQDUNJG-UHFFFAOYSA-N
XLogP7.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.48
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 92534595
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide (CID 4944300) is 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
The InChIKey is FUKXUFDZQDUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2N2O4/c1-20(38-28-15-7-24(32)8-16-28)30(36)34-26-11-3-22(4-12-26)19-23-5-13-27(14-6-23)35-31(37)21(2)39-29-17-9-25(33)10-18-29/h3-18,20-21H,19H2,1-2H3,(H,34,36)(H,35,37).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide has a molecular weight of 563.48 g/mol, XLogP of 7.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide is sourced from PubChem (CID 4944300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).