2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide

C14H19F3N2O — CID 109005975

IUPAC2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCNCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-2-3-6-9-18-10-13(20)19-12-8-5-4-7-11(12)14(15,16)17/h4-5,7-8,18H,2-3,6,9-10H2,1H3,(H,19,20)
InChIKeyKAQRHOBBFXHEFK-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.42
Rot. Bonds7

About 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 109005975) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID109005975
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCNCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-2-3-6-9-18-10-13(20)19-12-8-5-4-7-11(12)14(15,16)17/h4-5,7-8,18H,2-3,6,9-10H2,1H3,(H,19,20)
InChIKeyKAQRHOBBFXHEFK-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.42
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-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005843
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 109005975) is 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide is CCCCCNCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KAQRHOBBFXHEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-3-6-9-18-10-13(20)19-12-8-5-4-7-11(12)14(15,16)17/h4-5,7-8,18H,2-3,6,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109005975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).