N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide

C14H19F3N2O2 — CID 115519079

IUPACN-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCCCCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-21-12-6-4-11(5-7-12)19-13(20)10-18-9-3-2-8-14(15,16)17/h4-7,18H,2-3,8-10H2,1H3,(H,19,20)
InChIKeySPFWSUHCKGTYMO-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.96
Rot. Bonds8

About N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide

N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide (PubChem CID 115519079) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide
PubChem CID115519079
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCCCCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-21-12-6-4-11(5-7-12)19-13(20)10-18-9-3-2-8-14(15,16)17/h4-7,18H,2-3,8-10H2,1H3,(H,19,20)
InChIKeySPFWSUHCKGTYMO-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
CID 106211596
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide (CID 115519079) is N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide is COc1ccc(NC(=O)CNCCCCC(F)(F)F)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide?
The InChIKey is SPFWSUHCKGTYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-21-12-6-4-11(5-7-12)19-13(20)10-18-9-3-2-8-14(15,16)17/h4-7,18H,2-3,8-10H2,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide?
N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide is sourced from PubChem (CID 115519079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).