N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

C22H14BrCl2NO3 — CID 17335206

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H14BrCl2NO3/c23-14-6-4-13(5-7-14)18-9-8-15(28-18)12-26-22(27)20-11-10-19(29-20)16-2-1-3-17(24)21(16)25/h1-11H,12H2,(H,26,27)
InChIKeyFIPJZQOKDQMLTQ-UHFFFAOYSA-N
MW491.17 g/mol
LogP7.21
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 17335206) has the molecular formula C22H14BrCl2NO3 and a molecular weight of 491.17 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID17335206
Molecular FormulaC22H14BrCl2NO3
Molecular Weight491.17 g/mol
Exact Mass488.95
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H14BrCl2NO3/c23-14-6-4-13(5-7-14)18-9-8-15(28-18)12-26-22(27)20-11-10-19(29-20)16-2-1-3-17(24)21(16)25/h1-11H,12H2,(H,26,27)
InChIKeyFIPJZQOKDQMLTQ-UHFFFAOYSA-N
XLogP7.21
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.17
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 17334498
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17110627
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
5-(4-bromophenyl)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23820161
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 24588447
5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
CID 47010120
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 17335206) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is FIPJZQOKDQMLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrCl2NO3/c23-14-6-4-13(5-7-14)18-9-8-15(28-18)12-26-22(27)20-11-10-19(29-20)16-2-1-3-17(24)21(16)25/h1-11H,12H2,(H,26,27).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 491.17 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17335206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).