N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide

C14H17F3N2O2 — CID 106199882

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)COCCC1CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-12(11(18)7-10)19-13(20)8-21-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8,18H2,(H,19,20)
InChIKeyCPCABEHKYXBFMI-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.04
Rot. Bonds6

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide (PubChem CID 106199882) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
PubChem CID106199882
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)COCCC1CC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-12(11(18)7-10)19-13(20)8-21-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8,18H2,(H,19,20)
InChIKeyCPCABEHKYXBFMI-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
CID 62116305
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
3-amino-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205666
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
N-[2-carbamothioyl-4-(trifluoromethyl)phenyl]-2-propoxyacetamide
CID 107939065
N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82781335
N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
CID 154663570

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide (CID 106199882) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide is Nc1cc(C(F)(F)F)ccc1NC(=O)COCCC1CC1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide?
The InChIKey is CPCABEHKYXBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-12(11(18)7-10)19-13(20)8-21-6-5-9-1-2-9/h3-4,7,9H,1-2,5-6,8,18H2,(H,19,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide has a molecular weight of 302.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide is sourced from PubChem (CID 106199882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).