1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide

C21H23FN2O2 — CID 55539101

IUPAC1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1
InChIInChI=1S/C21H23FN2O2/c1-14(2)19(25)23-17-8-10-18(11-9-17)24-20(26)21(12-3-13-21)15-4-6-16(22)7-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJJZSITMIUHOTDH-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide (PubChem CID 55539101) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
PubChem CID55539101
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1
InChIInChI=1S/C21H23FN2O2/c1-14(2)19(25)23-17-8-10-18(11-9-17)24-20(26)21(12-3-13-21)15-4-6-16(22)7-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyJJZSITMIUHOTDH-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
1-[1-(4-fluorophenyl)cyclobutyl]-2-methylpropan-1-one
CID 164836434
2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224606
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-(4-fluorophenyl)-1-(1-methyl-2,3-dihydroindol-5-yl)cyclobutane-1-carboxamide
CID 142580555
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide (CID 55539101) is 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide?
The InChIKey is JJZSITMIUHOTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14(2)19(25)23-17-8-10-18(11-9-17)24-20(26)21(12-3-13-21)15-4-6-16(22)7-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55539101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).