2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide

C15H12BrCl2NO2 — CID 121377084

IUPAC2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1ccoc1Br
InChIInChI=1S/C15H12BrCl2NO2/c16-14-11(5-6-21-14)15(20)19-13-4-3-10(13)9-2-1-8(17)7-12(9)18/h1-2,5-7,10,13H,3-4H2,(H,19,20)/t10-,13-/m0/s1
InChIKeyVKUWJJVJMJESJE-GWCFXTLKSA-N
MW389.08 g/mol
LogP5.02
Rot. Bonds3

About 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide

2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide (PubChem CID 121377084) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide
PubChem CID121377084
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1ccoc1Br
InChIInChI=1S/C15H12BrCl2NO2/c16-14-11(5-6-21-14)15(20)19-13-4-3-10(13)9-2-1-8(17)7-12(9)18/h1-2,5-7,10,13H,3-4H2,(H,19,20)/t10-,13-/m0/s1
InChIKeyVKUWJJVJMJESJE-GWCFXTLKSA-N
XLogP5.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
CID 121377181
N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide
CID 121382514
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
CID 121377101
2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide
CID 106365773
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 136581557
(4-bromophenyl)-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
CID 3802471
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,4-dichloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491146
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide (CID 121377084) is 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide is O=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide?
The InChIKey is VKUWJJVJMJESJE-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c16-14-11(5-6-21-14)15(20)19-13-4-3-10(13)9-2-1-8(17)7-12(9)18/h1-2,5-7,10,13H,3-4H2,(H,19,20)/t10-,13-/m0/s1.
What are the key properties of 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide?
2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide has a molecular weight of 389.08 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide is sourced from PubChem (CID 121377084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).