5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid

C16H21Cl2NO4 — CID 167518145

IUPAC5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid
SMILESCC(C)Oc1cc(NC(=O)C(C)CC(C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO4/c1-8(2)23-14-7-13(11(17)6-12(14)18)19-15(20)9(3)5-10(4)16(21)22/h6-10H,5H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyOFZGGFKVEINEKS-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.47
Rot. Bonds7

About 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid

5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid (PubChem CID 167518145) has the molecular formula C16H21Cl2NO4 and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid
PubChem CID167518145
Molecular FormulaC16H21Cl2NO4
Molecular Weight362.25 g/mol
Exact Mass361.08
IUPAC Name5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid
SMILESCC(C)Oc1cc(NC(=O)C(C)CC(C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO4/c1-8(2)23-14-7-13(11(17)6-12(14)18)19-15(20)9(3)5-10(4)16(21)22/h6-10H,5H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyOFZGGFKVEINEKS-UHFFFAOYSA-N
XLogP4.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
2-[1-(2-chloro-4-ethyl-5-propan-2-yloxyanilino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 167518105
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-[[2-(dimethylamino)-2-oxoethylidene]-hydroxy-λ4-sulfanyl]acetamide
CID 170923683
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
CID 159749309
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 117462501
(2R)-2-[(2,5-dichloro-4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 167816568
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)acetamide
CID 168742935

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid (CID 167518145) is 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid is CC(C)Oc1cc(NC(=O)C(C)CC(C)C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid?
The InChIKey is OFZGGFKVEINEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO4/c1-8(2)23-14-7-13(11(17)6-12(14)18)19-15(20)9(3)5-10(4)16(21)22/h6-10H,5H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid?
5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid has a molecular weight of 362.25 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 167518145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).