4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide

C16H17FN2O — CID 64680864

IUPAC4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-8-7-13(18)9-15(14)17/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyHTZOYPHXMFQJIH-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.90
Rot. Bonds4

About 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide

4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide (PubChem CID 64680864) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
PubChem CID64680864
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-8-7-13(18)9-15(14)17/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyHTZOYPHXMFQJIH-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.90
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

N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
4-amino-2-fluoro-N-[(2-nitrophenyl)methyl]benzamide
CID 107794442
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143
4-amino-N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzamide
CID 107794291
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide (CID 64680864) is 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide is CCc1ccccc1CNC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide?
The InChIKey is HTZOYPHXMFQJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-8-7-13(18)9-15(14)17/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide?
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 64680864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).