N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide

C20H22F2N2O3 — CID 39758265

IUPACN-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C20H22F2N2O3/c1-24(14-15-9-11-17(12-10-15)27-20(21)22)18(25)8-5-13-23-19(26)16-6-3-2-4-7-16/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,23,26)
InChIKeyRWQLMXVHXQAAJT-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.46
Rot. Bonds9

About N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide

N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide (PubChem CID 39758265) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
PubChem CID39758265
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C20H22F2N2O3/c1-24(14-15-9-11-17(12-10-15)27-20(21)22)18(25)8-5-13-23-19(26)16-6-3-2-4-7-16/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,23,26)
InChIKeyRWQLMXVHXQAAJT-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.46
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

N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide (CID 39758265) is N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide?
The InChIKey is RWQLMXVHXQAAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-24(14-15-9-11-17(12-10-15)27-20(21)22)18(25)8-5-13-23-19(26)16-6-3-2-4-7-16/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,23,26).
What are the key properties of N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide?
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 39758265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).