2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide

C19H19FN2O2 — CID 139013882

IUPAC2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(F)c(C(N)=O)c3)CCC2)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-3-5-13(6-4-12)19(9-2-10-19)18(24)22-14-7-8-16(20)15(11-14)17(21)23/h3-8,11H,2,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyOWYVCOSFUYQNKN-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.29
Rot. Bonds4

About 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide

2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide (PubChem CID 139013882) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide
PubChem CID139013882
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(F)c(C(N)=O)c3)CCC2)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-3-5-13(6-4-12)19(9-2-10-19)18(24)22-14-7-8-16(20)15(11-14)17(21)23/h3-8,11H,2,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyOWYVCOSFUYQNKN-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
2-fluoro-5-[[1-(4-fluorophenyl)cyclobutyl]carbamoylamino]benzamide
CID 47994300
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100745624
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide (CID 139013882) is 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide is Cc1ccc(C2(C(=O)Nc3ccc(F)c(C(N)=O)c3)CCC2)cc1.
What is the InChIKey of 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide?
The InChIKey is OWYVCOSFUYQNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-3-5-13(6-4-12)19(9-2-10-19)18(24)22-14-7-8-16(20)15(11-14)17(21)23/h3-8,11H,2,9-10H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide?
2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide has a molecular weight of 326.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[1-(4-methylphenyl)cyclobutanecarbonyl]amino]benzamide is sourced from PubChem (CID 139013882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).