N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide

C18H16BrF2NO — CID 55900607

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H16BrF2NO/c19-16-6-5-15(21)9-12(16)11-22-17(23)18(7-2-8-18)13-3-1-4-14(20)10-13/h1,3-6,9-10H,2,7-8,11H2,(H,22,23)
InChIKeyHWDOJJQOQHDSBS-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.47
Rot. Bonds4

About N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide

N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 55900607) has the molecular formula C18H16BrF2NO and a molecular weight of 380.23 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID55900607
Molecular FormulaC18H16BrF2NO
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C18H16BrF2NO/c19-16-6-5-15(21)9-12(16)11-22-17(23)18(7-2-8-18)13-3-1-4-14(20)10-13/h1,3-6,9-10H,2,7-8,11H2,(H,22,23)
InChIKeyHWDOJJQOQHDSBS-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
1-(3-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]cyclobutane-1-carboxamide
CID 55748767
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 166194047
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 55900607) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide is O=C(NCc1cc(F)ccc1Br)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is HWDOJJQOQHDSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2NO/c19-16-6-5-15(21)9-12(16)11-22-17(23)18(7-2-8-18)13-3-1-4-14(20)10-13/h1,3-6,9-10H,2,7-8,11H2,(H,22,23).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 380.23 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 55900607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).