4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide

C14H11F3N2O — CID 110483102

IUPAC4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F3N2O/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(18)5-2-8/h1-6H,7,18H2,(H,19,20)
InChIKeyZWVJFFURTNRIAS-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.62
Rot. Bonds3

About 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide

4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide (PubChem CID 110483102) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide
PubChem CID110483102
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C14H11F3N2O/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(18)5-2-8/h1-6H,7,18H2,(H,19,20)
InChIKeyZWVJFFURTNRIAS-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
N-[(4-carbamothioyl-2-fluorophenyl)methyl]-4-chlorobenzamide
CID 63359465
6-amino-N-[(2,3,4-trifluorophenyl)methyl]hexanamide
CID 110482622
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110480436
N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
CID 63791568
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
4-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
4-amino-N-(2-aminopropyl)benzamide
CID 130891998

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide?
The IUPAC name of 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide (CID 110483102) is 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide?
The canonical SMILES for 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide is Nc1ccc(C(=O)NCc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide?
The InChIKey is ZWVJFFURTNRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(18)5-2-8/h1-6H,7,18H2,(H,19,20).
What are the key properties of 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide?
4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide has a molecular weight of 280.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide is sourced from PubChem (CID 110483102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).