N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide

C20H16BrF2NO3 — CID 18229282

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H16BrF2NO3/c1-24(19(25)14-3-2-4-16(11-14)27-20(22)23)12-17-9-10-18(26-17)13-5-7-15(21)8-6-13/h2-11,20H,12H2,1H3
InChIKeyMWOHEVRJBVQIIX-UHFFFAOYSA-N
MW436.25 g/mol
LogP5.58
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide (PubChem CID 18229282) has the molecular formula C20H16BrF2NO3 and a molecular weight of 436.25 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide
PubChem CID18229282
Molecular FormulaC20H16BrF2NO3
Molecular Weight436.25 g/mol
Exact Mass435.03
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide
SMILESCN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H16BrF2NO3/c1-24(19(25)14-3-2-4-16(11-14)27-20(22)23)12-17-9-10-18(26-17)13-5-7-15(21)8-6-13/h2-11,20H,12H2,1H3
InChIKeyMWOHEVRJBVQIIX-UHFFFAOYSA-N
XLogP5.58
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.25
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 9107485
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 9107441
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
1-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]propan-2-ol
CID 62334158
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]-3-ethoxybenzamide
CID 17334224
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27852892

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide (CID 18229282) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide is CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is MWOHEVRJBVQIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2NO3/c1-24(19(25)14-3-2-4-16(11-14)27-20(22)23)12-17-9-10-18(26-17)13-5-7-15(21)8-6-13/h2-11,20H,12H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 436.25 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 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]-3-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 18229282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).