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

C18H13BrClNO2 — CID 9204124

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Cl
InChIInChI=1S/C18H13BrClNO2/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)
InChIKeyVMXOWOZQWDTGDV-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.29
Rot. Bonds4

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide (PubChem CID 9204124) has the molecular formula C18H13BrClNO2 and a molecular weight of 390.66 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
PubChem CID9204124
Molecular FormulaC18H13BrClNO2
Molecular Weight390.66 g/mol
Exact Mass388.98
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Cl
InChIInChI=1S/C18H13BrClNO2/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)
InChIKeyVMXOWOZQWDTGDV-UHFFFAOYSA-N
XLogP5.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17335206
2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
CID 119101854
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methoxynaphthalene-2-carboxamide
CID 17335195
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
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
4-chloro-2-methyl-N-[(5-phenylfuran-2-yl)methyl]benzamide
CID 166341635

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide (CID 9204124) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide is O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Cl.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide?
The InChIKey is VMXOWOZQWDTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO2/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-chlorobenzamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide has a molecular weight of 390.66 g/mol, XLogP of 5.29, 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-chlorobenzamide is sourced from PubChem (CID 9204124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).