4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide

C16H17FN2O — CID 64681507

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

About 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide

4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide (PubChem CID 64681507) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
PubChem CID64681507
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-13(11)10-19-16(20)12-7-8-15(18)14(17)9-12/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyPEMHXHOARUJYLI-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-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide (CID 64681507) is 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide is CCc1ccccc1CNC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide?
The InChIKey is PEMHXHOARUJYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-11-5-3-4-6-13(11)10-19-16(20)12-7-8-15(18)14(17)9-12/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide?
4-amino-N-[(2-ethylphenyl)methyl]-3-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]-3-fluorobenzamide is sourced from PubChem (CID 64681507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).