2-amino-N-[(4-fluorophenyl)methyl]benzamide

C14H13FN2O — CID 2968498

IUPAC2-amino-N-[(4-fluorophenyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9,16H2,(H,17,18)
InChIKeyVILBQFBHVKCQIZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.34
Rot. Bonds3

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

2-amino-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 2968498) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID2968498
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9,16H2,(H,17,18)
InChIKeyVILBQFBHVKCQIZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]benzamide (CID 2968498) is 2-amino-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]benzamide is Nc1ccccc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is VILBQFBHVKCQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)16/h1-8H,9,16H2,(H,17,18).
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]benzamide?
2-amino-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 244.27 g/mol, XLogP of 2.34, 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-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 2968498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).