2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide

C17H17FN2O3 — CID 56782129

IUPAC2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide
SMILESCOC(C)(C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c1-17(23-2,11-6-4-3-5-7-11)16(22)20-12-8-9-14(18)13(10-12)15(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyBNSVJRHRAXNISW-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.42
Rot. Bonds5

About 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide

2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide (PubChem CID 56782129) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide
PubChem CID56782129
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide
SMILESCOC(C)(C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c1-17(23-2,11-6-4-3-5-7-11)16(22)20-12-8-9-14(18)13(10-12)15(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyBNSVJRHRAXNISW-UHFFFAOYSA-N
XLogP2.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
CID 43706567
2-methoxy-2-phenylpropanehydrazide
CID 138489021
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
ethyl 5-(carbamothioylamino)-2-fluorobenzoate
CID 169356235
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 62317574
5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723
2-methoxy-5-[(2-methyl-2-phenylsulfanylpropanoyl)amino]benzamide
CID 100784905

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide?
The IUPAC name of 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide (CID 56782129) is 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide?
The canonical SMILES for 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide is COC(C)(C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccccc1.
What is the InChIKey of 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide?
The InChIKey is BNSVJRHRAXNISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-17(23-2,11-6-4-3-5-7-11)16(22)20-12-8-9-14(18)13(10-12)15(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide?
2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide has a molecular weight of 316.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-methoxy-2-phenylpropanoyl)amino]benzamide is sourced from PubChem (CID 56782129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).