N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide

C13H15ClF3NO — CID 78883501

IUPACN-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClF3NO/c1-2-3-7-18(9-13(15,16)17)12(19)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3
InChIKeyHNROYCGYVTYGAE-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.14
Rot. Bonds5

About N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide

N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78883501) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78883501
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC NameN-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClF3NO/c1-2-3-7-18(9-13(15,16)17)12(19)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3
InChIKeyHNROYCGYVTYGAE-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N,N-dipropylbenzamide
CID 669182
N-butyl-6-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235473
N-butyl-4-chloro-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 52637937
N-butyl-2-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 52789665
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-butyl-3-chloro-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 5095657
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492196
N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide (CID 78883501) is N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide is CCCCN(CC(F)(F)F)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HNROYCGYVTYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-2-3-7-18(9-13(15,16)17)12(19)10-5-4-6-11(14)8-10/h4-6,8H,2-3,7,9H2,1H3.
What are the key properties of N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide?
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 293.72 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78883501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).