N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide

C14H17ClF3N3O2 — CID 108515808

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H17ClF3N3O2/c1-21(2)7-3-6-19-12(22)13(23)20-9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8H,3,6-7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGZHLNJULVPHNKF-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.37
Rot. Bonds5

About N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide (PubChem CID 108515808) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
PubChem CID108515808
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H17ClF3N3O2/c1-21(2)7-3-6-19-12(22)13(23)20-9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8H,3,6-7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGZHLNJULVPHNKF-UHFFFAOYSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N-(3-butoxypropyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108506520
N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108512751
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-pentylurea
CID 4582767
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106223
N'-acetyl-N'-(2-aminoethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515874
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanediamide
CID 95744217

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide (CID 108515808) is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide is CN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide?
The InChIKey is GZHLNJULVPHNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O2/c1-21(2)7-3-6-19-12(22)13(23)20-9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8H,3,6-7H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide has a molecular weight of 351.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 108515808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).