7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide

C15H22FN3O2 — CID 119758062

IUPAC7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c16-12-6-5-7-13(10-12)19-15(21)11-18-14(20)8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,17H2,(H,18,20)(H,19,21)
InChIKeySNZRCCUVGXBOFS-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.79
Rot. Bonds9

About 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide

7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide (PubChem CID 119758062) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide
PubChem CID119758062
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide
SMILESNCCCCCCC(=O)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c16-12-6-5-7-13(10-12)19-15(21)11-18-14(20)8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,17H2,(H,18,20)(H,19,21)
InChIKeySNZRCCUVGXBOFS-UHFFFAOYSA-N
XLogP1.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
N'-[3-[(3-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 86817394
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide (CID 119758062) is 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide is NCCCCCCC(=O)NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide?
The InChIKey is SNZRCCUVGXBOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-12-6-5-7-13(10-12)19-15(21)11-18-14(20)8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11,17H2,(H,18,20)(H,19,21).
What are the key properties of 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide?
7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide has a molecular weight of 295.36 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide is sourced from PubChem (CID 119758062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).