3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide

C12H16F2N2O2 — CID 114145958

IUPAC3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C12H16F2N2O2/c1-7(17)3-2-4-16-12(18)9-5-8(13)6-10(15)11(9)14/h5-7,17H,2-4,15H2,1H3,(H,16,18)
InChIKeyMTOQOAHEBIAUCZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.44
Rot. Bonds5

About 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide

3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide (PubChem CID 114145958) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
PubChem CID114145958
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C12H16F2N2O2/c1-7(17)3-2-4-16-12(18)9-5-8(13)6-10(15)11(9)14/h5-7,17H,2-4,15H2,1H3,(H,16,18)
InChIKeyMTOQOAHEBIAUCZ-UHFFFAOYSA-N
XLogP1.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
CID 107843161
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
CID 106120495
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140
3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 107120993
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide (CID 114145958) is 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide is CC(O)CCCNC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide?
The InChIKey is MTOQOAHEBIAUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(17)3-2-4-16-12(18)9-5-8(13)6-10(15)11(9)14/h5-7,17H,2-4,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide?
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide has a molecular weight of 258.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 114145958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).