7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide

C16H26FN3O — CID 119873503

IUPAC7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CCCCCCN
InChIInChI=1S/C16H26FN3O/c1-12(2)19-15-11-13(17)8-9-14(15)20-16(21)7-5-3-4-6-10-18/h8-9,11-12,19H,3-7,10,18H2,1-2H3,(H,20,21)
InChIKeyFWXSXXDSYBTBKN-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.49
Rot. Bonds9

About 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide

7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide (PubChem CID 119873503) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
PubChem CID119873503
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CCCCCCN
InChIInChI=1S/C16H26FN3O/c1-12(2)19-15-11-13(17)8-9-14(15)20-16(21)7-5-3-4-6-10-18/h8-9,11-12,19H,3-7,10,18H2,1-2H3,(H,20,21)
InChIKeyFWXSXXDSYBTBKN-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.49
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-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
7-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]heptanamide
CID 119795100
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide
CID 166390651
N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
CID 119844812
2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide
CID 86781745
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide (CID 119873503) is 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide is CC(C)Nc1cc(F)ccc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide?
The InChIKey is FWXSXXDSYBTBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-12(2)19-15-11-13(17)8-9-14(15)20-16(21)7-5-3-4-6-10-18/h8-9,11-12,19H,3-7,10,18H2,1-2H3,(H,20,21).
What are the key properties of 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide?
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide has a molecular weight of 295.40 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide is sourced from PubChem (CID 119873503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).