N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide

C18H13BrFNO2 — CID 9204118

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1F
InChIInChI=1S/C18H13BrFNO2/c19-13-7-5-12(6-8-13)17-10-9-14(23-17)11-21-18(22)15-3-1-2-4-16(15)20/h1-10H,11H2,(H,21,22)
InChIKeyCCFPERVADDCFPT-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.78
Rot. Bonds4

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide (PubChem CID 9204118) has the molecular formula C18H13BrFNO2 and a molecular weight of 374.21 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
PubChem CID9204118
Molecular FormulaC18H13BrFNO2
Molecular Weight374.21 g/mol
Exact Mass373.01
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1F
InChIInChI=1S/C18H13BrFNO2/c19-13-7-5-12(6-8-13)17-10-9-14(23-17)11-21-18(22)15-3-1-2-4-16(15)20/h1-10H,11H2,(H,21,22)
InChIKeyCCFPERVADDCFPT-UHFFFAOYSA-N
XLogP4.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide
CID 46691827
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]furan-2-carboxamide
CID 9184943
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 24672801
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide (CID 9204118) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide is O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1F.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide?
The InChIKey is CCFPERVADDCFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFNO2/c19-13-7-5-12(6-8-13)17-10-9-14(23-17)11-21-18(22)15-3-1-2-4-16(15)20/h1-10H,11H2,(H,21,22).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide has a molecular weight of 374.21 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 9204118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).