N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide

C16H17FN2O — CID 63209632

IUPACN-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2ccc(N)cc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-10-13(4-7-15(11)17)16(20)19-9-8-12-2-5-14(18)6-3-12/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyXGWVUAJHXFYKLJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide

N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide (PubChem CID 63209632) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
PubChem CID63209632
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2ccc(N)cc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-10-13(4-7-15(11)17)16(20)19-9-8-12-2-5-14(18)6-3-12/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyXGWVUAJHXFYKLJ-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 110787364

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide (CID 63209632) is N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCCc2ccc(N)cc2)ccc1F.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is XGWVUAJHXFYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-10-13(4-7-15(11)17)16(20)19-9-8-12-2-5-14(18)6-3-12/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide?
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63209632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).