2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C14H17F3N2O2 — CID 146493049

IUPAC2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)N(C=O)CC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-10(2)19(9-20)8-13(21)18-7-11-3-5-12(6-4-11)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyLGHGOPMGXPORCJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.19
Rot. Bonds6

About 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 146493049) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID146493049
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)N(C=O)CC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-10(2)19(9-20)8-13(21)18-7-11-3-5-12(6-4-11)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyLGHGOPMGXPORCJ-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
N-[[4-(trifluoromethyl)phenyl]methyl]but-3-enamide
CID 59536949
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
CID 25220023
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 146493049) is 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC(C)N(C=O)CC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is LGHGOPMGXPORCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10(2)19(9-20)8-13(21)18-7-11-3-5-12(6-4-11)14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(propan-2-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 146493049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).