N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide

C14H15F4NO — CID 60715950

IUPACN-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15F4NO/c1-9(10-2-3-10)19(8-14(16,17)18)13(20)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyNDZLJABXOAAMQY-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.63
Rot. Bonds4

About N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide

N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60715950) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60715950
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15F4NO/c1-9(10-2-3-10)19(8-14(16,17)18)13(20)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyNDZLJABXOAAMQY-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60716731
N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 95280380
2-amino-N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 63110222
3-amino-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60939378
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 42915108
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629074
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105380482
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106853406
N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60717510
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide (CID 60715950) is N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NDZLJABXOAAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-9(10-2-3-10)19(8-14(16,17)18)13(20)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60715950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).