N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide

C14H17F3N2O — CID 78924228

IUPACN-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-18-8-13(20)19(12-6-7-12)9-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2
InChIKeyAATZSDACQQRQGJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.33
Rot. Bonds6

About N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide

N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924228) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924228
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-18-8-13(20)19(12-6-7-12)9-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2
InChIKeyAATZSDACQQRQGJ-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915296
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
2-anilino-N-benzyl-N-cyclopropylacetamide;hydrochloride
CID 119703213
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421
N-benzyl-N-cyclopropyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119703228
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 175352896
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924228) is N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is AATZSDACQQRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-18-8-13(20)19(12-6-7-12)9-11-4-2-1-3-5-11/h1-5,12,18H,6-10H2.
What are the key properties of N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 286.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).