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

C13H20FN3O — CID 119873547

IUPAC4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CCCN
InChIInChI=1S/C13H20FN3O/c1-9(2)16-12-8-10(14)5-6-11(12)17-13(18)4-3-7-15/h5-6,8-9,16H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeyZCUJSNYNIZBCJF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.32
Rot. Bonds6

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

4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide (PubChem CID 119873547) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
PubChem CID119873547
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
SMILESCC(C)Nc1cc(F)ccc1NC(=O)CCCN
InChIInChI=1S/C13H20FN3O/c1-9(2)16-12-8-10(14)5-6-11(12)17-13(18)4-3-7-15/h5-6,8-9,16H,3-4,7,15H2,1-2H3,(H,17,18)
InChIKeyZCUJSNYNIZBCJF-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
2-tert-butylsulfonyl-N-[4-fluoro-2-(propan-2-ylamino)phenyl]acetamide
CID 86781745
N-[2-[5-fluoro-2-(propan-2-ylamino)anilino]-2-oxoethyl]-5-hydroxypentanamide
CID 166390651
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
4-amino-N-[5-chloro-2-(2-methylpropanoylamino)phenyl]butanamide
CID 39194061
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide (CID 119873547) is 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide is CC(C)Nc1cc(F)ccc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide?
The InChIKey is ZCUJSNYNIZBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9(2)16-12-8-10(14)5-6-11(12)17-13(18)4-3-7-15/h5-6,8-9,16H,3-4,7,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide?
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide has a molecular weight of 253.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide is sourced from PubChem (CID 119873547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).