4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide

C16H17FN2O — CID 62680430

IUPAC4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-19(10-9-12-5-3-2-4-6-12)16(20)13-7-8-15(18)14(17)11-13/h2-8,11H,9-10,18H2,1H3
InChIKeyIYCMUEQJIBIOSY-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.72
Rot. Bonds4

About 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide

4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide (PubChem CID 62680430) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
PubChem CID62680430
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
SMILESCN(CCc1ccccc1)C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-19(10-9-12-5-3-2-4-6-12)16(20)13-7-8-15(18)14(17)11-13/h2-8,11H,9-10,18H2,1H3
InChIKeyIYCMUEQJIBIOSY-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-3-fluoro-N-methylbenzamide
CID 55228481
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
4-amino-3-fluoro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913755
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
4-amino-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62680598
2,4-diamino-N-methyl-N-(2-phenylethyl)benzamide
CID 61107981
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide (CID 62680430) is 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide is CN(CCc1ccccc1)C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is IYCMUEQJIBIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(10-9-12-5-3-2-4-6-12)16(20)13-7-8-15(18)14(17)11-13/h2-8,11H,9-10,18H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide?
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 272.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 62680430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).