7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide

C18H28FN3O2 — CID 119892317

IUPAC7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C18H28FN3O2/c19-16-12-14(22-18(23)7-3-1-2-4-10-20)8-9-17(16)21-13-15-6-5-11-24-15/h8-9,12,15,21H,1-7,10-11,13,20H2,(H,22,23)
InChIKeyYBBUQAKFZKPBPZ-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.26
Rot. Bonds10

About 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide

7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide (PubChem CID 119892317) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
PubChem CID119892317
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C18H28FN3O2/c19-16-12-14(22-18(23)7-3-1-2-4-10-20)8-9-17(16)21-13-15-6-5-11-24-15/h8-9,12,15,21H,1-7,10-11,13,20H2,(H,22,23)
InChIKeyYBBUQAKFZKPBPZ-UHFFFAOYSA-N
XLogP3.26
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126768224
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
4-amino-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]butanamide
CID 82034236
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 97309960
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549
1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
CID 56794269
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide (CID 119892317) is 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(NCC2CCCO2)c(F)c1.
What is the InChIKey of 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide?
The InChIKey is YBBUQAKFZKPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c19-16-12-14(22-18(23)7-3-1-2-4-10-20)8-9-17(16)21-13-15-6-5-11-24-15/h8-9,12,15,21H,1-7,10-11,13,20H2,(H,22,23).
What are the key properties of 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide?
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide has a molecular weight of 337.44 g/mol, XLogP of 3.26, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide is sourced from PubChem (CID 119892317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).