1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide

C21H21F2NO — CID 55748767

IUPAC1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C21H21F2NO/c22-17-7-5-15(6-8-17)20(11-12-20)14-24-19(25)21(9-2-10-21)16-3-1-4-18(23)13-16/h1,3-8,13H,2,9-12,14H2,(H,24,25)
InChIKeyCJXNBMBCQOQEFR-UHFFFAOYSA-N
MW341.40 g/mol
LogP4.23
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide (PubChem CID 55748767) has the molecular formula C21H21F2NO and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
PubChem CID55748767
Molecular FormulaC21H21F2NO
Molecular Weight341.40 g/mol
Exact Mass341.16
IUPAC Name1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C21H21F2NO/c22-17-7-5-15(6-8-17)20(11-12-20)14-24-19(25)21(9-2-10-21)16-3-1-4-18(23)13-16/h1,3-8,13H,2,9-12,14H2,(H,24,25)
InChIKeyCJXNBMBCQOQEFR-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]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

1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
1-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide;hydrochloride
CID 120943827
1-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 120890611
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide (CID 55748767) is 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide is O=C(NCC1(c2ccc(F)cc2)CC1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is CJXNBMBCQOQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO/c22-17-7-5-15(6-8-17)20(11-12-20)14-24-19(25)21(9-2-10-21)16-3-1-4-18(23)13-16/h1,3-8,13H,2,9-12,14H2,(H,24,25).
What are the key properties of 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55748767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).