2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C15H13F3N2O — CID 60699275

IUPAC2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-7-5-10(6-8-11)9-20-14(21)12-3-1-2-4-13(12)19/h1-8H,9,19H2,(H,20,21)
InChIKeyUXNDSGNADGRNHZ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.22
Rot. Bonds3

About 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 60699275) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID60699275
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-7-5-10(6-8-11)9-20-14(21)12-3-1-2-4-13(12)19/h1-8H,9,19H2,(H,20,21)
InChIKeyUXNDSGNADGRNHZ-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-amino-N-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]benzamide
CID 87542425
2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052911
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-carboxamide
CID 69058380
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 60699275) is 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Nc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UXNDSGNADGRNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)11-7-5-10(6-8-11)9-20-14(21)12-3-1-2-4-13(12)19/h1-8H,9,19H2,(H,20,21).
What are the key properties of 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60699275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).