1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide

C22H20FN3O — CID 51113892

IUPAC1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)n1
InChIInChI=1S/C22H20FN3O/c1-15-24-12-9-20(25-15)16-5-2-8-19(13-16)26-21(27)22(10-4-11-22)17-6-3-7-18(23)14-17/h2-3,5-9,12-14H,4,10-11H2,1H3,(H,26,27)
InChIKeyBWQIXNWHCLFMKV-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.65
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 51113892) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID51113892
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)n1
InChIInChI=1S/C22H20FN3O/c1-15-24-12-9-20(25-15)16-5-2-8-19(13-16)26-21(27)22(10-4-11-22)17-6-3-7-18(23)14-17/h2-3,5-9,12-14H,4,10-11H2,1H3,(H,26,27)
InChIKeyBWQIXNWHCLFMKV-UHFFFAOYSA-N
XLogP4.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 112819680
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248
4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide
CID 119707150
4-(3-fluorobenzoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperazine-1-carboxamide
CID 91544721
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-[3-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55742350
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124
1-(3-fluorophenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclobutane-1-carboxamide
CID 55620281

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide (CID 51113892) is 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide is Cc1nccc(-c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is BWQIXNWHCLFMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-15-24-12-9-20(25-15)16-5-2-8-19(13-16)26-21(27)22(10-4-11-22)17-6-3-7-18(23)14-17/h2-3,5-9,12-14H,4,10-11H2,1H3,(H,26,27).
What are the key properties of 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 51113892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).