N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide

C15H13F3N2O — CID 162403367

IUPACN-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)14(21)20-13-9-5-4-8-12(13)19-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,20,21)
InChIKeyDRCQHQKLIWSKFC-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide

N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 162403367) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
PubChem CID162403367
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccccc1NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)14(21)20-13-9-5-4-8-12(13)19-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,20,21)
InChIKeyDRCQHQKLIWSKFC-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288
N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
CID 71671968
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701
3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933554
2,2,2-trifluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108933536
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
N-[3-[(5-bromo-2-chloroanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113232495
2,2,2-trifluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 108933509
N-[2-[3-(benzylamino)-4-methoxyphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21282392

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide (CID 162403367) is N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccccc1NCc1ccccc1)C(F)(F)F.
What is the InChIKey of N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is DRCQHQKLIWSKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)14(21)20-13-9-5-4-8-12(13)19-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,20,21).
What are the key properties of N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide?
N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 294.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162403367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).