2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide

C30H28F2N4O3 — CID 70313840

IUPAC2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)c1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccc(F)cc3)cn2-c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C30H28F2N4O3/c1-19(2)35(29(39)16-21-4-6-22(7-5-21)20(3)37)18-28(38)34-30-33-27(23-8-10-24(31)11-9-23)17-36(30)26-14-12-25(32)13-15-26/h4-15,17,19H,16,18H2,1-3H3,(H,33,34,38)
InChIKeyMGUUXLRCPMYOQE-UHFFFAOYSA-N
MW530.58 g/mol
LogP5.44
Rot. Bonds9

About 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 70313840) has the molecular formula C30H28F2N4O3 and a molecular weight of 530.58 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID70313840
Molecular FormulaC30H28F2N4O3
Molecular Weight530.58 g/mol
Exact Mass530.21
IUPAC Name2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)c1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccc(F)cc3)cn2-c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C30H28F2N4O3/c1-19(2)35(29(39)16-21-4-6-22(7-5-21)20(3)37)18-28(38)34-30-33-27(23-8-10-24(31)11-9-23)17-36(30)26-14-12-25(32)13-15-26/h4-15,17,19H,16,18H2,1-3H3,(H,33,34,38)
InChIKeyMGUUXLRCPMYOQE-UHFFFAOYSA-N
XLogP5.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 70313840) is 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide is CC(=O)c1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccc(F)cc3)cn2-c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is MGUUXLRCPMYOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N4O3/c1-19(2)35(29(39)16-21-4-6-22(7-5-21)20(3)37)18-28(38)34-30-33-27(23-8-10-24(31)11-9-23)17-36(30)26-14-12-25(32)13-15-26/h4-15,17,19H,16,18H2,1-3H3,(H,33,34,38).
What are the key properties of 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide?
2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 530.58 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-N-[2-[[1,4-bis(4-fluorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 70313840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).