3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide

C14H15BrF3NO — CID 60629074

IUPAC3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H15BrF3NO/c1-9(10-5-6-10)19(8-14(16,17)18)13(20)11-3-2-4-12(15)7-11/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyXJHXXYNECXFUPG-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.25
Rot. Bonds4

About 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide

3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60629074) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60629074
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cccc(Br)c1
InChIInChI=1S/C14H15BrF3NO/c1-9(10-5-6-10)19(8-14(16,17)18)13(20)11-3-2-4-12(15)7-11/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyXJHXXYNECXFUPG-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 60715950
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 60629066
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
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60716731
2-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106853406
N-[(1S)-1-cyclopropylethyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 8834857
2-amino-N-(1-cyclopropylethyl)-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 63110222
2-amino-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106833
N-(1-cyclopropylethyl)-2,3-difluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105380482
N-(1-cyclopropylethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-quinoline-4-carboxamide
CID 71900831

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 60629074) is 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XJHXXYNECXFUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c1-9(10-5-6-10)19(8-14(16,17)18)13(20)11-3-2-4-12(15)7-11/h2-4,7,9-10H,5-6,8H2,1H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide?
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 350.18 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60629074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).