3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid

C14H17Cl2NO3 — CID 65261533

IUPAC3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C14H17Cl2NO3/c1-13(2,12(19)20)14(3,4)17-11(18)9-6-5-8(15)7-10(9)16/h5-7H,1-4H3,(H,17,18)(H,19,20)
InChIKeyFAMTZXCBVTYPGV-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.61
Rot. Bonds4

About 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65261533) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65261533
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C(=O)O
InChIInChI=1S/C14H17Cl2NO3/c1-13(2,12(19)20)14(3,4)17-11(18)9-6-5-8(15)7-10(9)16/h5-7H,1-4H3,(H,17,18)(H,19,20)
InChIKeyFAMTZXCBVTYPGV-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
2,4-dichloro-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]benzamide
CID 175051329
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429513
2-[(2,4-dichlorobenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid
CID 16773416
2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one
CID 102549756

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid (CID 65261533) is 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is FAMTZXCBVTYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-13(2,12(19)20)14(3,4)17-11(18)9-6-5-8(15)7-10(9)16/h5-7H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 318.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).