4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide

C11H14F2N2O2 — CID 63187415

IUPAC4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-17-4-2-3-15-11(16)7-5-8(12)10(14)9(13)6-7/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyWADHPEOITNDJAE-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.31
Rot. Bonds5

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

4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide (PubChem CID 63187415) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
PubChem CID63187415
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-17-4-2-3-15-11(16)7-5-8(12)10(14)9(13)6-7/h5-6H,2-4,14H2,1H3,(H,15,16)
InChIKeyWADHPEOITNDJAE-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
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

4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
CID 155067191
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63185530
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
CID 113228456
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide (CID 63187415) is 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide?
The InChIKey is WADHPEOITNDJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-17-4-2-3-15-11(16)7-5-8(12)10(14)9(13)6-7/h5-6H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide?
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide has a molecular weight of 244.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 63187415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).