N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide

C16H18F6N2O — CID 119531195

IUPACN-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
SMILESCCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C16H18F6N2O/c1-2-5-24(13-3-4-23-9-13)14(25)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h6-8,13,23H,2-5,9H2,1H3
InChIKeySPXJFVLPLMQSRS-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.94
Rot. Bonds4

About N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide

N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 119531195) has the molecular formula C16H18F6N2O and a molecular weight of 368.32 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
PubChem CID119531195
Molecular FormulaC16H18F6N2O
Molecular Weight368.32 g/mol
Exact Mass368.13
IUPAC NameN-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
SMILESCCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C16H18F6N2O/c1-2-5-24(13-3-4-23-9-13)14(25)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h6-8,13,23H,2-5,9H2,1H3
InChIKeySPXJFVLPLMQSRS-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide (CID 119531195) is N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide is CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is SPXJFVLPLMQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F6N2O/c1-2-5-24(13-3-4-23-9-13)14(25)10-6-11(15(17,18)19)8-12(7-10)16(20,21)22/h6-8,13,23H,2-5,9H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide?
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 368.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 119531195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).