N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C13H17F3N2O — CID 62115395

IUPACN-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCNCCCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-17-7-2-8-18-12(19)9-10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyYPODULLAKCISIX-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.97
Rot. Bonds6

About N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 62115395) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID62115395
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCNCCCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-17-7-2-8-18-12(19)9-10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyYPODULLAKCISIX-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55040920
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79673463

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 62115395) is N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CNCCCNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YPODULLAKCISIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-17-7-2-8-18-12(19)9-10-3-5-11(6-4-10)13(14,15)16/h3-6,17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 274.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 62115395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).