(4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid

C14H11BrF3NO3 — CID 146503360

IUPAC(4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid
SMILESO=C(O)N(Cc1ccc(Br)cc1)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H11BrF3NO3/c15-10-3-1-9(2-4-10)7-19(13(20)21)8-11-5-6-12(22-11)14(16,17)18/h1-6H,7-8H2,(H,20,21)
InChIKeyJSEDMNDZLDOZAG-UHFFFAOYSA-N
MW378.14 g/mol
LogP4.74
Rot. Bonds4

About (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid

(4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid (PubChem CID 146503360) has the molecular formula C14H11BrF3NO3 and a molecular weight of 378.14 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid
PubChem CID146503360
Molecular FormulaC14H11BrF3NO3
Molecular Weight378.14 g/mol
Exact Mass376.99
IUPAC Name(4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid
SMILESO=C(O)N(Cc1ccc(Br)cc1)Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C14H11BrF3NO3/c15-10-3-1-9(2-4-10)7-19(13(20)21)8-11-5-6-12(22-11)14(16,17)18/h1-6H,7-8H2,(H,20,21)
InChIKeyJSEDMNDZLDOZAG-UHFFFAOYSA-N
XLogP4.74
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.14
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid?
The IUPAC name of (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid (CID 146503360) is (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid.
What is the SMILES notation for (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid?
The canonical SMILES for (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid is O=C(O)N(Cc1ccc(Br)cc1)Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid?
The InChIKey is JSEDMNDZLDOZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO3/c15-10-3-1-9(2-4-10)7-19(13(20)21)8-11-5-6-12(22-11)14(16,17)18/h1-6H,7-8H2,(H,20,21).
What are the key properties of (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid?
(4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid has a molecular weight of 378.14 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[[5-(trifluoromethyl)furan-2-yl]methyl]carbamic acid is sourced from PubChem (CID 146503360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).