3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide

C15H21ClF3N3O — CID 109016986

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H21ClF3N3O/c1-22(2)9-3-7-21-14(23)6-8-20-13-10-11(15(17,18)19)4-5-12(13)16/h4-5,10,20H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyLXLPDHSFYVQTQA-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.23
Rot. Bonds8

About 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide

3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109016986) has the molecular formula C15H21ClF3N3O and a molecular weight of 351.80 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109016986
Molecular FormulaC15H21ClF3N3O
Molecular Weight351.80 g/mol
Exact Mass351.13
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H21ClF3N3O/c1-22(2)9-3-7-21-14(23)6-8-20-13-10-11(15(17,18)19)4-5-12(13)16/h4-5,10,20H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyLXLPDHSFYVQTQA-UHFFFAOYSA-N
XLogP3.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 109021116
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
1-(4-acetylpiperazin-1-yl)-3-[2-chloro-5-(trifluoromethyl)anilino]propan-1-one
CID 109018223
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
CID 66479559
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide (CID 109016986) is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCNc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is LXLPDHSFYVQTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N3O/c1-22(2)9-3-7-21-14(23)6-8-20-13-10-11(15(17,18)19)4-5-12(13)16/h4-5,10,20H,3,6-9H2,1-2H3,(H,21,23).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide?
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 351.80 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109016986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).