2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide

C16H23F3N2O — CID 54814618

IUPAC2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCCCNCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O/c1-2-3-4-5-6-10-20-12-15(22)21-14-9-7-8-13(11-14)16(17,18)19/h7-9,11,20H,2-6,10,12H2,1H3,(H,21,22)
InChIKeySHJIMTGLBRBQMZ-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.20
Rot. Bonds9

About 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 54814618) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID54814618
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCCCCNCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O/c1-2-3-4-5-6-10-20-12-15(22)21-14-9-7-8-13(11-14)16(17,18)19/h7-9,11,20H,2-6,10,12H2,1H3,(H,21,22)
InChIKeySHJIMTGLBRBQMZ-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.20
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-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
2-(4-heptoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54821633
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
2-oxo-N-[3-(trifluoromethyl)phenyl]nonanamide
CID 91423185
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616

Frequently Asked Questions

What is the IUPAC name of 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 54814618) is 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide is CCCCCCCNCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SHJIMTGLBRBQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-2-3-4-5-6-10-20-12-15(22)21-14-9-7-8-13(11-14)16(17,18)19/h7-9,11,20H,2-6,10,12H2,1H3,(H,21,22).
What are the key properties of 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 316.37 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 54814618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).