N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide

C16H22ClF3N2O — CID 109033185

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H22ClF3N2O/c1-3-8-22(9-4-2)10-7-15(23)21-14-6-5-12(17)11-13(14)16(18,19)20/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyJYYLRPFLYCCKES-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.81
Rot. Bonds8

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide (PubChem CID 109033185) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
PubChem CID109033185
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H22ClF3N2O/c1-3-8-22(9-4-2)10-7-15(23)21-14-6-5-12(17)11-13(14)16(18,19)20/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyJYYLRPFLYCCKES-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 109017439

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide (CID 109033185) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide is CCCN(CCC)CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide?
The InChIKey is JYYLRPFLYCCKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3N2O/c1-3-8-22(9-4-2)10-7-15(23)21-14-6-5-12(17)11-13(14)16(18,19)20/h5-6,11H,3-4,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide has a molecular weight of 350.81 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide is sourced from PubChem (CID 109033185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).