N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

C17H14BrF3N2O2 — CID 108934266

IUPACN-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H14BrF3N2O2/c18-13-7-5-11(6-8-13)9-15(24)22-10-12-3-1-2-4-14(12)23-16(25)17(19,20)21/h1-8H,9-10H2,(H,22,24)(H,23,25)
InChIKeyGVAAFIJWCSSERC-UHFFFAOYSA-N
MW415.21 g/mol
LogP3.81
Rot. Bonds5

About N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 108934266) has the molecular formula C17H14BrF3N2O2 and a molecular weight of 415.21 g/mol. Its IUPAC name is N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID108934266
Molecular FormulaC17H14BrF3N2O2
Molecular Weight415.21 g/mol
Exact Mass414.02
IUPAC NameN-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H14BrF3N2O2/c18-13-7-5-11(6-8-13)9-15(24)22-10-12-3-1-2-4-14(12)23-16(25)17(19,20)21/h1-8H,9-10H2,(H,22,24)(H,23,25)
InChIKeyGVAAFIJWCSSERC-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934015
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
N-[3-[[2-(4-bromophenyl)acetyl]amino]propyl]-2,2,2-trifluoroacetamide
CID 108934898
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934154
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
CID 108934228
4-(1,3-dioxoisoindol-2-yl)-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]butanamide
CID 108934170
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (CID 108934266) is N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is O=C(Cc1ccc(Br)cc1)NCc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is GVAAFIJWCSSERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2O2/c18-13-7-5-11(6-8-13)9-15(24)22-10-12-3-1-2-4-14(12)23-16(25)17(19,20)21/h1-8H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 415.21 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108934266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).