3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid

C15H19F2NO4 — CID 119249228

IUPAC3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(C(=O)NCC(C)(C)C(=O)O)cc(C)c1OC(F)F
InChIInChI=1S/C15H19F2NO4/c1-8-5-10(6-9(2)11(8)22-14(16)17)12(19)18-7-15(3,4)13(20)21/h5-6,14H,7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyOGOLHCOLOJPZSY-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.75
Rot. Bonds6

About 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid

3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249228) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249228
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cc(C(=O)NCC(C)(C)C(=O)O)cc(C)c1OC(F)F
InChIInChI=1S/C15H19F2NO4/c1-8-5-10(6-9(2)11(8)22-14(16)17)12(19)18-7-15(3,4)13(20)21/h5-6,14H,7H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyOGOLHCOLOJPZSY-UHFFFAOYSA-N
XLogP2.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 120687898
2-[2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241468
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137
N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
CID 119499066
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
methyl (2R)-2-[[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]methyl]-4-methylpentanoate
CID 95776733
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249800
4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide
CID 95616061
3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249605
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113307764

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid (CID 119249228) is 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid is Cc1cc(C(=O)NCC(C)(C)C(=O)O)cc(C)c1OC(F)F.
What is the InChIKey of 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is OGOLHCOLOJPZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-8-5-10(6-9(2)11(8)22-14(16)17)12(19)18-7-15(3,4)13(20)21/h5-6,14H,7H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid?
3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 315.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).