N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide

C12H14F4N2O — CID 119509675

IUPACN-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCCNCCNC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-2-17-3-4-18-11(19)8-5-9(12(14,15)16)7-10(13)6-8/h5-7,17H,2-4H2,1H3,(H,18,19)
InChIKeyQOKBDNYMPFNXMN-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 119509675) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID119509675
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESCCNCCNC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-2-17-3-4-18-11(19)8-5-9(12(14,15)16)7-10(13)6-8/h5-7,17H,2-4H2,1H3,(H,18,19)
InChIKeyQOKBDNYMPFNXMN-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.18
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

3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261
N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119504852
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
2-chloro-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 130132466
N-(3-bromopropyl)-3,5-bis(trifluoromethyl)benzamide
CID 132941155
3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
CID 162064632

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 119509675) is N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide is CCNCCNC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is QOKBDNYMPFNXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-2-17-3-4-18-11(19)8-5-9(12(14,15)16)7-10(13)6-8/h5-7,17H,2-4H2,1H3,(H,18,19).
What are the key properties of N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 278.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 119509675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).