N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide

C12H13F3N2O — CID 62810074

IUPACN-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
SMILESO=C(CNc1cc(F)cc(F)c1F)NCC1CC1
InChIInChI=1S/C12H13F3N2O/c13-8-3-9(14)12(15)10(4-8)16-6-11(18)17-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyVBTCMYOVWQSWQS-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.04
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide

N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide (PubChem CID 62810074) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
PubChem CID62810074
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC NameN-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
SMILESO=C(CNc1cc(F)cc(F)c1F)NCC1CC1
InChIInChI=1S/C12H13F3N2O/c13-8-3-9(14)12(15)10(4-8)16-6-11(18)17-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyVBTCMYOVWQSWQS-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(2,3,5-trifluoroanilino)acetamide
CID 55118024
N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide
CID 115564301
N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29053888
N-(cyclopropylmethyl)-2-(2,5-dichloroanilino)acetamide
CID 28568189
N-[(4-tert-butylcyclohexyl)methyl]-2,3,5-trifluoroaniline
CID 104575070
N-phenyl-2-(2,3,5-trifluoroanilino)acetamide
CID 62810251
tert-butyl 2-(2,3,5-trifluoroanilino)acetate
CID 55138442
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
CID 28992064

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide (CID 62810074) is N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide is O=C(CNc1cc(F)cc(F)c1F)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide?
The InChIKey is VBTCMYOVWQSWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-8-3-9(14)12(15)10(4-8)16-6-11(18)17-5-7-1-2-7/h3-4,7,16H,1-2,5-6H2,(H,17,18).
What are the key properties of N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide?
N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide has a molecular weight of 258.24 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide is sourced from PubChem (CID 62810074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).