N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide

C14H18F3N3O2 — CID 113064473

IUPACN-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3N3O2/c1-8(2)19-14(22)18-6-7-20(9(3)21)11-5-4-10(15)12(16)13(11)17/h4-5,8H,6-7H2,1-3H3,(H2,18,19,22)
InChIKeyQQWQCIIAMOZDCR-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide

N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113064473) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113064473
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H18F3N3O2/c1-8(2)19-14(22)18-6-7-20(9(3)21)11-5-4-10(15)12(16)13(11)17/h4-5,8H,6-7H2,1-3H3,(H2,18,19,22)
InChIKeyQQWQCIIAMOZDCR-UHFFFAOYSA-N
XLogP2.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylbutyl)acetamide
CID 113181280
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[4-(diethylamino)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062291
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-3-phenoxypropanamide
CID 113064450
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
CID 113181217

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide (CID 113064473) is N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)N(CCNC(=O)NC(C)C)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is QQWQCIIAMOZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-8(2)19-14(22)18-6-7-20(9(3)21)11-5-4-10(15)12(16)13(11)17/h4-5,8H,6-7H2,1-3H3,(H2,18,19,22).
What are the key properties of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide?
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 317.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113064473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).