N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide

C15H21F3N2O — CID 63188458

IUPACN-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(2)9-20(6-5-19(3)4)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10H,5-6,9H2,1-4H3
InChIKeyLMQWJNUEEHVSLG-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide

N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide (PubChem CID 63188458) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
PubChem CID63188458
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(2)9-20(6-5-19(3)4)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10H,5-6,9H2,1-4H3
InChIKeyLMQWJNUEEHVSLG-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63693984
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
CID 107479214
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide (CID 63188458) is N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CCN(C)C)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide?
The InChIKey is LMQWJNUEEHVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)9-20(6-5-19(3)4)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide?
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 63188458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).