4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide

C13H18F2N2O2 — CID 14959961

IUPAC4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-17(2)9-3-8-16-12(18)10-4-6-11(7-5-10)19-13(14)15/h4-7,13H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyIVSXZRWHFUSMOW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.97
Rot. Bonds7

About 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide

4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 14959961) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
PubChem CID14959961
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-17(2)9-3-8-16-12(18)10-4-6-11(7-5-10)19-13(14)15/h4-7,13H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyIVSXZRWHFUSMOW-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25394977
N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
CID 63284398
N-(5-amino-5-hydroxyiminopentyl)-4-(difluoromethoxy)benzamide
CID 77036856
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide (CID 14959961) is 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is IVSXZRWHFUSMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-17(2)9-3-8-16-12(18)10-4-6-11(7-5-10)19-13(14)15/h4-7,13H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide?
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 272.30 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 14959961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).