N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide

C21H21FN2O2 — CID 166420591

IUPACN-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)NC1(c2ccccc2F)CC(C)C1
InChIInChI=1S/C21H21FN2O2/c1-3-19(25)23-18-11-7-4-8-15(18)20(26)24-21(12-14(2)13-21)16-9-5-6-10-17(16)22/h3-11,14H,1,12-13H2,2H3,(H,23,25)(H,24,26)
InChIKeyRWHFDTWJOOBHDX-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide

N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide (PubChem CID 166420591) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide
PubChem CID166420591
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)NC1(c2ccccc2F)CC(C)C1
InChIInChI=1S/C21H21FN2O2/c1-3-19(25)23-18-11-7-4-8-15(18)20(26)24-21(12-14(2)13-21)16-9-5-6-10-17(16)22/h3-11,14H,1,12-13H2,2H3,(H,23,25)(H,24,26)
InChIKeyRWHFDTWJOOBHDX-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 166305087
N-[2-[[(2,2-difluorocyclopropanecarbonyl)amino]carbamoyl]phenyl]prop-2-enamide
CID 166420589
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
CID 166420649
N-[2-(ethylsulfonylamino)ethyl]-2-(prop-2-enoylamino)benzamide
CID 166420577
2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110445767
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
CID 167846587
N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
CID 166421201
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N-[1-(2-fluorophenyl)cyclopropyl]-6-methylpyridine-2-carboxamide
CID 110462508

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide (CID 166420591) is N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)NC1(c2ccccc2F)CC(C)C1.
What is the InChIKey of N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is RWHFDTWJOOBHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-3-19(25)23-18-11-7-4-8-15(18)20(26)24-21(12-14(2)13-21)16-9-5-6-10-17(16)22/h3-11,14H,1,12-13H2,2H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide?
N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 352.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-3-methylcyclobutyl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166420591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).