N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide

C12H13F3N2O — CID 65100401

IUPACN-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
SMILESNC(CNC(=O)c1c(F)cc(F)cc1F)C1CC1
InChIInChI=1S/C12H13F3N2O/c13-7-3-8(14)11(9(15)4-7)12(18)17-5-10(16)6-1-2-6/h3-4,6,10H,1-2,5,16H2,(H,17,18)
InChIKeyWBJQDCRYNSJSEE-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.57
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide

N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide (PubChem CID 65100401) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
PubChem CID65100401
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
SMILESNC(CNC(=O)c1c(F)cc(F)cc1F)C1CC1
InChIInChI=1S/C12H13F3N2O/c13-7-3-8(14)11(9(15)4-7)12(18)17-5-10(16)6-1-2-6/h3-4,6,10H,1-2,5,16H2,(H,17,18)
InChIKeyWBJQDCRYNSJSEE-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
CID 115301115
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide
CID 65098584
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
N-(2-amino-2-cyclopropylethyl)-2,6-dichlorobenzamide
CID 113282152
4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114315907
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831
N-[(2R)-2-amino-2-cyclopropylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 124550256
4-bromo-N-(2-chloro-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114305229
N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
CID 115301155
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide (CID 65100401) is N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide is NC(CNC(=O)c1c(F)cc(F)cc1F)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide?
The InChIKey is WBJQDCRYNSJSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-7-3-8(14)11(9(15)4-7)12(18)17-5-10(16)6-1-2-6/h3-4,6,10H,1-2,5,16H2,(H,17,18).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide?
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide has a molecular weight of 258.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65100401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).