(2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide

C24H29ClFNO2 — CID 122501001

IUPAC(2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide
SMILESCC(Cc1ccc(-c2cc(Cl)ccc2F)cc1)C[C@@H](C)C(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C24H29ClFNO2/c1-15(12-16(2)22(28)27-23(29)24(3,4)5)13-17-6-8-18(9-7-17)20-14-19(25)10-11-21(20)26/h6-11,14-16H,12-13H2,1-5H3,(H,27,28,29)/t15?,16-/m1/s1
InChIKeyFIZNQQBNSJKGDL-OEMAIJDKSA-N
MW417.95 g/mol
LogP6.04
Rot. Bonds6

About (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide

(2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide (PubChem CID 122501001) has the molecular formula C24H29ClFNO2 and a molecular weight of 417.95 g/mol. Its IUPAC name is (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide
PubChem CID122501001
Molecular FormulaC24H29ClFNO2
Molecular Weight417.95 g/mol
Exact Mass417.19
IUPAC Name(2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide
SMILESCC(Cc1ccc(-c2cc(Cl)ccc2F)cc1)C[C@@H](C)C(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C24H29ClFNO2/c1-15(12-16(2)22(28)27-23(29)24(3,4)5)13-17-6-8-18(9-7-17)20-14-19(25)10-11-21(20)26/h6-11,14-16H,12-13H2,1-5H3,(H,27,28,29)/t15?,16-/m1/s1
InChIKeyFIZNQQBNSJKGDL-OEMAIJDKSA-N
XLogP6.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.95
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide?
The IUPAC name of (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide (CID 122501001) is (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide.
What is the SMILES notation for (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide?
The canonical SMILES for (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide is CC(Cc1ccc(-c2cc(Cl)ccc2F)cc1)C[C@@H](C)C(=O)NC(=O)C(C)(C)C.
What is the InChIKey of (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide?
The InChIKey is FIZNQQBNSJKGDL-OEMAIJDKSA-N. The full InChI is InChI=1S/C24H29ClFNO2/c1-15(12-16(2)22(28)27-23(29)24(3,4)5)13-17-6-8-18(9-7-17)20-14-19(25)10-11-21(20)26/h6-11,14-16H,12-13H2,1-5H3,(H,27,28,29)/t15?,16-/m1/s1.
What are the key properties of (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide?
(2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide has a molecular weight of 417.95 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-2,4-dimethylpentanamide is sourced from PubChem (CID 122501001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).