3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide

C19H19FN2O2 — CID 86982921

IUPAC3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)C2(c3cccc(F)c3)CCC2)cccc1C(N)=O
InChIInChI=1S/C19H19FN2O2/c1-12-15(17(21)23)7-3-8-16(12)22-18(24)19(9-4-10-19)13-5-2-6-14(20)11-13/h2-3,5-8,11H,4,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyOVEKUSIMNWKWCJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.29
Rot. Bonds4

About 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide

3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide (PubChem CID 86982921) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide
PubChem CID86982921
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)C2(c3cccc(F)c3)CCC2)cccc1C(N)=O
InChIInChI=1S/C19H19FN2O2/c1-12-15(17(21)23)7-3-8-16(12)22-18(24)19(9-4-10-19)13-5-2-6-14(20)11-13/h2-3,5-8,11H,4,9-10H2,1H3,(H2,21,23)(H,22,24)
InChIKeyOVEKUSIMNWKWCJ-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

N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237
2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 28624302
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 104596248
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 32983634
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(3-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 134022471
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
N-(3-carbamoyl-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127964
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide (CID 86982921) is 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide is Cc1c(NC(=O)C2(c3cccc(F)c3)CCC2)cccc1C(N)=O.
What is the InChIKey of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide?
The InChIKey is OVEKUSIMNWKWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-15(17(21)23)7-3-8-16(12)22-18(24)19(9-4-10-19)13-5-2-6-14(20)11-13/h2-3,5-8,11H,4,9-10H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide?
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide 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 3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylbenzamide is sourced from PubChem (CID 86982921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).