N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide

C15H11BrF3NO2 — CID 18787071

IUPACN-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(Br)c1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11BrF3NO2/c16-11-7-4-8-12(20-14(21)15(17,18)19)13(11)22-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,21)
InChIKeyDVVCPTCKPVNWKG-UHFFFAOYSA-N
MW374.16 g/mol
LogP4.53
Rot. Bonds4

About N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide

N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 18787071) has the molecular formula C15H11BrF3NO2 and a molecular weight of 374.16 g/mol. Its IUPAC name is N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID18787071
Molecular FormulaC15H11BrF3NO2
Molecular Weight374.16 g/mol
Exact Mass372.99
IUPAC NameN-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(Br)c1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11BrF3NO2/c16-11-7-4-8-12(20-14(21)15(17,18)19)13(11)22-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,21)
InChIKeyDVVCPTCKPVNWKG-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide (CID 18787071) is N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide is O=C(Nc1cccc(Br)c1OCc1ccccc1)C(F)(F)F.
What is the InChIKey of N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is DVVCPTCKPVNWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO2/c16-11-7-4-8-12(20-14(21)15(17,18)19)13(11)22-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,21).
What are the key properties of N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide?
N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 374.16 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-phenylmethoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18787071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).