N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide

C15H21F3N2O — CID 56546511

IUPACN-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(C)CCCNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-11(2)5-4-8-19-14(21)10-20-13-7-3-6-12(9-13)15(16,17)18/h3,6-7,9,11,20H,4-5,8,10H2,1-2H3,(H,19,21)
InChIKeySPTHJOWPELPTIE-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.67
Rot. Bonds7

About N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56546511) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56546511
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(C)CCCNC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-11(2)5-4-8-19-14(21)10-20-13-7-3-6-12(9-13)15(16,17)18/h3,6-7,9,11,20H,4-5,8,10H2,1-2H3,(H,19,21)
InChIKeySPTHJOWPELPTIE-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.67
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

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552750
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552526
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 61062823
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 86908674
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539922

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 56546511) is N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide is CC(C)CCCNC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is SPTHJOWPELPTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)5-4-8-19-14(21)10-20-13-7-3-6-12(9-13)15(16,17)18/h3,6-7,9,11,20H,4-5,8,10H2,1-2H3,(H,19,21).
What are the key properties of N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 302.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56546511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).