2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide

C16H12BrF3N2O2 — CID 108934015

IUPAC2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1CNC(=O)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C16H12BrF3N2O2/c17-12-7-3-2-6-11(12)14(23)22-13-8-4-1-5-10(13)9-21-15(24)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyRGPJWINOTKYTOF-UHFFFAOYSA-N
MW401.18 g/mol
LogP3.88
Rot. Bonds4

About 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide

2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide (PubChem CID 108934015) has the molecular formula C16H12BrF3N2O2 and a molecular weight of 401.18 g/mol. Its IUPAC name is 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
PubChem CID108934015
Molecular FormulaC16H12BrF3N2O2
Molecular Weight401.18 g/mol
Exact Mass400.00
IUPAC Name2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1CNC(=O)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C16H12BrF3N2O2/c17-12-7-3-2-6-11(12)14(23)22-13-8-4-1-5-10(13)9-21-15(24)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyRGPJWINOTKYTOF-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934271
(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934341
(E)-4,4-dimethyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934343
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658
4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934115
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide (CID 108934015) is 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide is O=C(Nc1ccccc1CNC(=O)C(F)(F)F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The InChIKey is RGPJWINOTKYTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O2/c17-12-7-3-2-6-11(12)14(23)22-13-8-4-1-5-10(13)9-21-15(24)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide has a molecular weight of 401.18 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 108934015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).