N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide

C16H17FN2O — CID 63048750

IUPACN-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C16H17FN2O/c1-11-2-5-13(17)10-15(11)16(20)19-9-8-12-3-6-14(18)7-4-12/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyXYYHPAUGILTRJB-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide

N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide (PubChem CID 63048750) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
PubChem CID63048750
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C16H17FN2O/c1-11-2-5-13(17)10-15(11)16(20)19-9-8-12-3-6-14(18)7-4-12/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyXYYHPAUGILTRJB-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

N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
2,5-dimethyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974414
N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide (CID 63048750) is N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide?
The InChIKey is XYYHPAUGILTRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-2-5-13(17)10-15(11)16(20)19-9-8-12-3-6-14(18)7-4-12/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide?
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-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]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 63048750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).