N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide

C16H18F3NO2 — CID 16721146

IUPACN-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO2/c1-2-9-20(10-11-3-4-11)15(22)13-7-5-12(6-8-13)14(21)16(17,18)19/h5-8,11H,2-4,9-10H2,1H3
InChIKeyJZRJOABRXYRESQ-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.69
Rot. Bonds6

About N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide

N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide (PubChem CID 16721146) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide
PubChem CID16721146
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO2/c1-2-9-20(10-11-3-4-11)15(22)13-7-5-12(6-8-13)14(21)16(17,18)19/h5-8,11H,2-4,9-10H2,1H3
InChIKeyJZRJOABRXYRESQ-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide (CID 16721146) is N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide is CCCN(CC1CC1)C(=O)c1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide?
The InChIKey is JZRJOABRXYRESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c1-2-9-20(10-11-3-4-11)15(22)13-7-5-12(6-8-13)14(21)16(17,18)19/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide?
N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide has a molecular weight of 313.32 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propyl-4-(2,2,2-trifluoroacetyl)benzamide is sourced from PubChem (CID 16721146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).