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

C25H20BrNO2 — CID 17335196

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20BrNO2/c26-21-13-11-18(12-14-21)23-16-15-22(29-23)17-27-25(28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,24H,17H2,(H,27,28)
InChIKeyZSCRAPKBERCBFF-UHFFFAOYSA-N
MW446.34 g/mol
LogP6.16
Rot. Bonds6

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide (PubChem CID 17335196) has the molecular formula C25H20BrNO2 and a molecular weight of 446.34 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
PubChem CID17335196
Molecular FormulaC25H20BrNO2
Molecular Weight446.34 g/mol
Exact Mass445.07
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1ccc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20BrNO2/c26-21-13-11-18(12-14-21)23-16-15-22(29-23)17-27-25(28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,24H,17H2,(H,27,28)
InChIKeyZSCRAPKBERCBFF-UHFFFAOYSA-N
XLogP6.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.34
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17332249
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-2,2-diphenylacetamide
CID 28666297
[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium
CID 8622897
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
(2S)-N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 24588390
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide (CID 17335196) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide is O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide?
The InChIKey is ZSCRAPKBERCBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO2/c26-21-13-11-18(12-14-21)23-16-15-22(29-23)17-27-25(28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,24H,17H2,(H,27,28).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide has a molecular weight of 446.34 g/mol, XLogP of 6.16, 6 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]-2,2-diphenylacetamide is sourced from PubChem (CID 17335196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).