ethyl 2-(2-fluoroanilino)heptanoate

C15H22FNO2 — CID 54890514

IUPACethyl 2-(2-fluoroanilino)heptanoate
SMILESCCCCCC(Nc1ccccc1F)C(=O)OCC
InChIInChI=1S/C15H22FNO2/c1-3-5-6-11-14(15(18)19-4-2)17-13-10-8-7-9-12(13)16/h7-10,14,17H,3-6,11H2,1-2H3
InChIKeyNUTOBBUKGFIOLV-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.75
Rot. Bonds8

About ethyl 2-(2-fluoroanilino)heptanoate

ethyl 2-(2-fluoroanilino)heptanoate (PubChem CID 54890514) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is ethyl 2-(2-fluoroanilino)heptanoate.

Molecular Properties

Compound Nameethyl 2-(2-fluoroanilino)heptanoate
PubChem CID54890514
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nameethyl 2-(2-fluoroanilino)heptanoate
SMILESCCCCCC(Nc1ccccc1F)C(=O)OCC
InChIInChI=1S/C15H22FNO2/c1-3-5-6-11-14(15(18)19-4-2)17-13-10-8-7-9-12(13)16/h7-10,14,17H,3-6,11H2,1-2H3
InChIKeyNUTOBBUKGFIOLV-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-methylanilino)nonanoate
CID 63523920
ethyl (2R)-2-anilinotridecanoate
CID 155931058
methyl 2-(2-methylanilino)nonanoate
CID 63523567
2-(2-fluoroanilino)butanamide
CID 60995502
ethyl 2-(2-bromoanilino)pentanoate
CID 54890587
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
2-(2-fluoroanilino)heptanenitrile
CID 61005429
methyl 2-anilinooctanoate
CID 54889679
methyl 2-(2,5-difluoroanilino)hexanoate
CID 103232812
methyl 2-(4-chloro-2-fluoroanilino)hexanoate
CID 103247397

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoroanilino)heptanoate?
The IUPAC name of ethyl 2-(2-fluoroanilino)heptanoate (CID 54890514) is ethyl 2-(2-fluoroanilino)heptanoate.
What is the SMILES notation for ethyl 2-(2-fluoroanilino)heptanoate?
The canonical SMILES for ethyl 2-(2-fluoroanilino)heptanoate is CCCCCC(Nc1ccccc1F)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-fluoroanilino)heptanoate?
The InChIKey is NUTOBBUKGFIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-3-5-6-11-14(15(18)19-4-2)17-13-10-8-7-9-12(13)16/h7-10,14,17H,3-6,11H2,1-2H3.
What are the key properties of ethyl 2-(2-fluoroanilino)heptanoate?
ethyl 2-(2-fluoroanilino)heptanoate has a molecular weight of 267.34 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoroanilino)heptanoate is sourced from PubChem (CID 54890514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).