2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide

C15H19FN2O2 — CID 170173664

IUPAC2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide
SMILESCCC(=O)C1(Nc2ccc(C(=O)NC)c(F)c2)CCC1
InChIInChI=1S/C15H19FN2O2/c1-3-13(19)15(7-4-8-15)18-10-5-6-11(12(16)9-10)14(20)17-2/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyAPZKCQMHRBPUHO-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.50
Rot. Bonds5

About 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide

2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide (PubChem CID 170173664) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide
PubChem CID170173664
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide
SMILESCCC(=O)C1(Nc2ccc(C(=O)NC)c(F)c2)CCC1
InChIInChI=1S/C15H19FN2O2/c1-3-13(19)15(7-4-8-15)18-10-5-6-11(12(16)9-10)14(20)17-2/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyAPZKCQMHRBPUHO-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium
CID 153370073
N-(1-but-1-en-2-ylcyclobutyl)-3-fluoro-4-[1-(methylamino)ethenyl]aniline
CID 170173670
2-fluoro-4-[(1-isocyanocyclopentyl)amino]-N-methylbenzamide
CID 123687017
4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
CID 118398490
ethyl 4-[(1-ethoxycarbonylcyclobutyl)amino]-2-fluorobenzoate
CID 175249459
methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
CID 118213844
2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
CID 88957064
1-(3-fluoro-4-methylanilino)cyclopentane-1-carboxylic acid
CID 114990350
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
4-[(1-ethylcyclopentyl)methylamino]-2-fluorobenzoic acid
CID 114126371
4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 158982977
3-[3-fluoro-4-(methylcarbamoyl)anilino]-2,5-dihydrofuran-2-carboxylic acid
CID 90374679

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide?
The IUPAC name of 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide (CID 170173664) is 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide is CCC(=O)C1(Nc2ccc(C(=O)NC)c(F)c2)CCC1.
What is the InChIKey of 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide?
The InChIKey is APZKCQMHRBPUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-13(19)15(7-4-8-15)18-10-5-6-11(12(16)9-10)14(20)17-2/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,17,20).
What are the key properties of 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide?
2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide has a molecular weight of 278.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide is sourced from PubChem (CID 170173664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).