N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide

C12H11F5N2O — CID 115564301

IUPACN-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide
SMILESO=C(CNc1c(F)c(F)c(F)c(F)c1F)NCC1CC1
InChIInChI=1S/C12H11F5N2O/c13-7-8(14)10(16)12(11(17)9(7)15)19-4-6(20)18-3-5-1-2-5/h5,19H,1-4H2,(H,18,20)
InChIKeyXAJSBRMTFWUHEY-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.32
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide

N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide (PubChem CID 115564301) has the molecular formula C12H11F5N2O and a molecular weight of 294.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide
PubChem CID115564301
Molecular FormulaC12H11F5N2O
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC NameN-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide
SMILESO=C(CNc1c(F)c(F)c(F)c(F)c1F)NCC1CC1
InChIInChI=1S/C12H11F5N2O/c13-7-8(14)10(16)12(11(17)9(7)15)19-4-6(20)18-3-5-1-2-5/h5,19H,1-4H2,(H,18,20)
InChIKeyXAJSBRMTFWUHEY-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-(2,4,6-tribromoanilino)acetamide
CID 28992064
N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
CID 62810074
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
N-(cyclopropylmethyl)-2-(3,5-dichloroanilino)acetamide
CID 28576189
N-(cyclopropylmethyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29053888
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
CID 60791450
N-(cyclopropylmethyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81348477
N-(cyclopropylmethyl)-2-(methoxyamino)acetamide
CID 60721216
N-(cyclopropylmethyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61469190
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-(cyclopropylmethyl)-2-(2-phenylanilino)acetamide
CID 28569421

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide (CID 115564301) is N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide is O=C(CNc1c(F)c(F)c(F)c(F)c1F)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide?
The InChIKey is XAJSBRMTFWUHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O/c13-7-8(14)10(16)12(11(17)9(7)15)19-4-6(20)18-3-5-1-2-5/h5,19H,1-4H2,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide?
N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide has a molecular weight of 294.22 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentafluoroanilino)acetamide is sourced from PubChem (CID 115564301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).