2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid

C14H17F2NO4 — CID 65220322

IUPAC2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C14H17F2NO4/c1-8(2)10(13(19)20)7-17-12(18)9-5-3-4-6-11(9)21-14(15)16/h3-6,8,10,14H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVMACZWURSSMOIE-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.37
Rot. Bonds7

About 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid

2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 65220322) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
PubChem CID65220322
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Name2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)c1ccccc1OC(F)F)C(=O)O
InChIInChI=1S/C14H17F2NO4/c1-8(2)10(13(19)20)7-17-12(18)9-5-3-4-6-11(9)21-14(15)16/h3-6,8,10,14H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVMACZWURSSMOIE-UHFFFAOYSA-N
XLogP2.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-[[(2-bromobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65219903
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid (CID 65220322) is 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)c1ccccc1OC(F)F)C(=O)O.
What is the InChIKey of 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is VMACZWURSSMOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-8(2)10(13(19)20)7-17-12(18)9-5-3-4-6-11(9)21-14(15)16/h3-6,8,10,14H,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid?
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 301.29 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65220322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).