N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide

C20H22FNO2 — CID 134041085

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C20H22FNO2/c1-22(14-15-9-10-18(24-2)17(21)13-15)19(23)20(11-6-12-20)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKeyFQHZZIXGXSWJBE-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.91
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide (PubChem CID 134041085) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
PubChem CID134041085
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C20H22FNO2/c1-22(14-15-9-10-18(24-2)17(21)13-15)19(23)20(11-6-12-20)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3
InChIKeyFQHZZIXGXSWJBE-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
(3S)-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 125147439
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-N-methylpropanamide
CID 78851363
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide (CID 134041085) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide is COc1ccc(CN(C)C(=O)C2(c3ccccc3)CCC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is FQHZZIXGXSWJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-22(14-15-9-10-18(24-2)17(21)13-15)19(23)20(11-6-12-20)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 134041085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).