3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

C17H23F3N2O2 — CID 113123127

IUPAC3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCCCN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C(C)=O
InChIInChI=1S/C17H23F3N2O2/c1-3-4-5-10-22(13(2)23)11-9-16(24)21-15-8-6-7-14(12-15)17(18,19)20/h6-8,12H,3-5,9-11H2,1-2H3,(H,21,24)
InChIKeyZEMFSMGHAQDADP-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.07
Rot. Bonds8

About 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 113123127) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID113123127
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCCCN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C(C)=O
InChIInChI=1S/C17H23F3N2O2/c1-3-4-5-10-22(13(2)23)11-9-16(24)21-15-8-6-7-14(12-15)17(18,19)20/h6-8,12H,3-5,9-11H2,1-2H3,(H,21,24)
InChIKeyZEMFSMGHAQDADP-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
1,1-dipentyl-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19653312
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113119982
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
3-(N-acetyl-2,6-difluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113135449
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
3-[acetyl(propyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113115089

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 113123127) is 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is CCCCCN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C(C)=O.
What is the InChIKey of 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZEMFSMGHAQDADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-3-4-5-10-22(13(2)23)11-9-16(24)21-15-8-6-7-14(12-15)17(18,19)20/h6-8,12H,3-5,9-11H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pentyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113123127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).