N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C17H15BrFNO — CID 110439174

IUPACN-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H15BrFNO/c18-13-4-8-15(9-5-13)20-16(21)17(10-1-11-17)12-2-6-14(19)7-3-12/h2-9H,1,10-11H2,(H,20,21)
InChIKeyKPEZQZPSRQRBAN-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.65
Rot. Bonds3

About N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 110439174) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID110439174
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC NameN-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H15BrFNO/c18-13-4-8-15(9-5-13)20-16(21)17(10-1-11-17)12-2-6-14(19)7-3-12/h2-9H,1,10-11H2,(H,20,21)
InChIKeyKPEZQZPSRQRBAN-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 18291480
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
1-(4-fluorophenyl)-N-(4-propoxyphenyl)cyclobutane-1-carboxamide
CID 110439215
2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224606
1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
CID 55963786
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 110439174) is N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is O=C(Nc1ccc(Br)cc1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is KPEZQZPSRQRBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c18-13-4-8-15(9-5-13)20-16(21)17(10-1-11-17)12-2-6-14(19)7-3-12/h2-9H,1,10-11H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 348.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110439174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).