N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide

C13H14F4N2O — CID 61230162

IUPACN-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(F)c(C(F)(F)F)c1)NCC1CC1
InChIInChI=1S/C13H14F4N2O/c14-11-4-3-9(5-10(11)13(15,16)17)18-7-12(20)19-6-8-1-2-8/h3-5,8,18H,1-2,6-7H2,(H,19,20)
InChIKeyYUSZIJSWHZLALN-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.78
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide

N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide (PubChem CID 61230162) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
PubChem CID61230162
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC NameN-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(F)c(C(F)(F)F)c1)NCC1CC1
InChIInChI=1S/C13H14F4N2O/c14-11-4-3-9(5-10(11)13(15,16)17)18-7-12(20)19-6-8-1-2-8/h3-5,8,18H,1-2,6-7H2,(H,19,20)
InChIKeyYUSZIJSWHZLALN-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 51095929
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide
CID 115564301
N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 115378318
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
N-(cyclopropylmethyl)-2-(3-ethylanilino)acetamide
CID 28584355
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
CID 62810074

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide (CID 61230162) is N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide is O=C(CNc1ccc(F)c(C(F)(F)F)c1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is YUSZIJSWHZLALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-11-4-3-9(5-10(11)13(15,16)17)18-7-12(20)19-6-8-1-2-8/h3-5,8,18H,1-2,6-7H2,(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 290.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 61230162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).