N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide

C19H21F2N3O2 — CID 16892001

IUPACN'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2N3O2/c1-24(2)15-8-5-13(6-9-15)4-3-11-22-18(25)19(26)23-17-10-7-14(20)12-16(17)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyONRMMPMYFXABSX-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.72
Rot. Bonds6

About N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide

N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide (PubChem CID 16892001) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
PubChem CID16892001
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
SMILESCN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2N3O2/c1-24(2)15-8-5-13(6-9-15)4-3-11-22-18(25)19(26)23-17-10-7-14(20)12-16(17)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyONRMMPMYFXABSX-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-(2-ethoxyphenyl)oxamide
CID 16892036
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
N'-(2,4-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837342

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide (CID 16892001) is N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide is CN(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
The InChIKey is ONRMMPMYFXABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-24(2)15-8-5-13(6-9-15)4-3-11-22-18(25)19(26)23-17-10-7-14(20)12-16(17)21/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide?
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide has a molecular weight of 361.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide is sourced from PubChem (CID 16892001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).