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

C18H20F2N2O2 — CID 27746715

IUPAC4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-22(15-6-3-2-4-7-15)13-5-12-21-17(23)14-8-10-16(11-9-14)24-18(19)20/h2-4,6-11,18H,5,12-13H2,1H3,(H,21,23)
InChIKeyCFOZTGVTTXPACT-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.54
Rot. Bonds8

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

4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 27746715) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID27746715
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-22(15-6-3-2-4-7-15)13-5-12-21-17(23)14-8-10-16(11-9-14)24-18(19)20/h2-4,6-11,18H,5,12-13H2,1H3,(H,21,23)
InChIKeyCFOZTGVTTXPACT-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.54
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-[2-(N-methylanilino)ethyl]benzamide
CID 25394977
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
N-[2-(4-heptan-4-yloxy-N-methylanilino)ethyl]benzamide
CID 143395438
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764046
N-(4-cyanobutyl)-4-(difluoromethoxy)benzamide
CID 63284398

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide (CID 27746715) is 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is CFOZTGVTTXPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-22(15-6-3-2-4-7-15)13-5-12-21-17(23)14-8-10-16(11-9-14)24-18(19)20/h2-4,6-11,18H,5,12-13H2,1H3,(H,21,23).
What are the key properties of 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide?
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 334.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 27746715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).