N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide

C25H26Cl2N2O2 — CID 10366839

IUPACN-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(Cl)cn1)C(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H26Cl2N2O2/c1-17(29-24(30)25(2,3)31-23-14-13-21(27)16-28-23)22(19-7-5-4-6-8-19)15-18-9-11-20(26)12-10-18/h4-14,16-17,22H,15H2,1-3H3,(H,29,30)
InChIKeyVQOOAQMFUGGWKX-UHFFFAOYSA-N
MW457.40 g/mol
LogP6.08
Rot. Bonds8

About N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide

N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide (PubChem CID 10366839) has the molecular formula C25H26Cl2N2O2 and a molecular weight of 457.40 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide
PubChem CID10366839
Molecular FormulaC25H26Cl2N2O2
Molecular Weight457.40 g/mol
Exact Mass456.14
IUPAC NameN-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)Oc1ccc(Cl)cn1)C(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H26Cl2N2O2/c1-17(29-24(30)25(2,3)31-23-14-13-21(27)16-28-23)22(19-7-5-4-6-8-19)15-18-9-11-20(26)12-10-18/h4-14,16-17,22H,15H2,1-3H3,(H,29,30)
InChIKeyVQOOAQMFUGGWKX-UHFFFAOYSA-N
XLogP6.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.40
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide (CID 10366839) is N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide is CC(NC(=O)C(C)(C)Oc1ccc(Cl)cn1)C(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide?
The InChIKey is VQOOAQMFUGGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O2/c1-17(29-24(30)25(2,3)31-23-14-13-21(27)16-28-23)22(19-7-5-4-6-8-19)15-18-9-11-20(26)12-10-18/h4-14,16-17,22H,15H2,1-3H3,(H,29,30).
What are the key properties of N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide?
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide has a molecular weight of 457.40 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide is sourced from PubChem (CID 10366839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).