1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide

C19H20FNO2 — CID 110438579

IUPAC1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C19H20FNO2/c1-13-8-9-17(23-2)16(12-13)21-18(22)19(10-5-11-19)14-6-3-4-7-15(14)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22)
InChIKeyOOOVBBSHTFUYQS-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide

1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 110438579) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
PubChem CID110438579
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1(c2ccccc2F)CCC1
InChIInChI=1S/C19H20FNO2/c1-13-8-9-17(23-2)16(12-13)21-18(22)19(10-5-11-19)14-6-3-4-7-15(14)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22)
InChIKeyOOOVBBSHTFUYQS-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661547
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
CID 100748813
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
2-(1-aminocyclobutyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 79851412
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
trans-(1S,2S)-2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 41036811
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide (CID 110438579) is 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1(c2ccccc2F)CCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is OOOVBBSHTFUYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13-8-9-17(23-2)16(12-13)21-18(22)19(10-5-11-19)14-6-3-4-7-15(14)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,22).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide?
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110438579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).