2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C15H13F3N2O — CID 16769465

IUPAC2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-5-3-4-10(8-11)9-20-14(21)12-6-1-2-7-13(12)19/h1-8H,9,19H2,(H,20,21)
InChIKeyMGVVEIWRADEHBA-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.22
Rot. Bonds3

About 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 16769465) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID16769465
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-5-3-4-10(8-11)9-20-14(21)12-6-1-2-7-13(12)19/h1-8H,9,19H2,(H,20,21)
InChIKeyMGVVEIWRADEHBA-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 43337163
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-sulfanylidene-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 43046537
2-(thiophene-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 39948631
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
2-amino-N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;benzene
CID 144888100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 16769465) is 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is Nc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is MGVVEIWRADEHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)11-5-3-4-10(8-11)9-20-14(21)12-6-1-2-7-13(12)19/h1-8H,9,19H2,(H,20,21).
What are the key properties of 2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
2-amino-N-[[3-(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-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 16769465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).