1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide

C23H21FN2O2 — CID 60580980

IUPAC1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1Oc1cccnc1
InChIInChI=1S/C23H21FN2O2/c1-16-14-19(9-10-21(16)28-20-4-2-13-25-15-20)26-22(27)23(11-3-12-23)17-5-7-18(24)8-6-17/h2,4-10,13-15H,3,11-12H2,1H3,(H,26,27)
InChIKeyTZRFXKVHZYPBNX-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.38
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide (PubChem CID 60580980) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
PubChem CID60580980
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1Oc1cccnc1
InChIInChI=1S/C23H21FN2O2/c1-16-14-19(9-10-21(16)28-20-4-2-13-25-15-20)26-22(27)23(11-3-12-23)17-5-7-18(24)8-6-17/h2,4-10,13-15H,3,11-12H2,1H3,(H,26,27)
InChIKeyTZRFXKVHZYPBNX-UHFFFAOYSA-N
XLogP5.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
N-(4-butoxy-3-methylphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664950
1-(4-fluorophenyl)-N-[3-methyl-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100674556
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100664966
5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide
CID 60581236
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
CID 119043741
N-isoquinolin-6-yl-1-pyridin-3-ylcyclobutane-1-carboxamide
CID 167881675
3-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077887
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide (CID 60580980) is 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1Oc1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is TZRFXKVHZYPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-16-14-19(9-10-21(16)28-20-4-2-13-25-15-20)26-22(27)23(11-3-12-23)17-5-7-18(24)8-6-17/h2,4-10,13-15H,3,11-12H2,1H3,(H,26,27).
What are the key properties of 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 60580980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).