3,5-difluoro-N-[3-(methylamino)propyl]benzamide

C11H14F2N2O — CID 43600831

IUPAC3,5-difluoro-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O/c1-14-3-2-4-15-11(16)8-5-9(12)7-10(13)6-8/h5-7,14H,2-4H2,1H3,(H,15,16)
InChIKeyRGSSCDFEVJOFNJ-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.30
Rot. Bonds5

About 3,5-difluoro-N-[3-(methylamino)propyl]benzamide

3,5-difluoro-N-[3-(methylamino)propyl]benzamide (PubChem CID 43600831) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(methylamino)propyl]benzamide
PubChem CID43600831
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3,5-difluoro-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O/c1-14-3-2-4-15-11(16)8-5-9(12)7-10(13)6-8/h5-7,14H,2-4H2,1H3,(H,15,16)
InChIKeyRGSSCDFEVJOFNJ-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[3-(methylamino)propyl]-5-nitrobenzamide
CID 81471141
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
4-[(3,5-difluorobenzoyl)amino]butanoic acid
CID 16769702
3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62658425
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
3-iodo-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzamide
CID 119432359
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 122142996
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
4-[(3,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538601
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
3,5-difluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103767454

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-(methylamino)propyl]benzamide (CID 43600831) is 3,5-difluoro-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[3-(methylamino)propyl]benzamide?
The InChIKey is RGSSCDFEVJOFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-14-3-2-4-15-11(16)8-5-9(12)7-10(13)6-8/h5-7,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 3,5-difluoro-N-[3-(methylamino)propyl]benzamide?
3,5-difluoro-N-[3-(methylamino)propyl]benzamide has a molecular weight of 228.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 43600831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).