N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide

C18H17F3N2O2 — CID 126431501

IUPACN-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-16-7-5-13(6-8-16)12-1-3-14(4-2-12)17(24)23-15-9-10-22-11-15/h1-8,15,22H,9-11H2,(H,23,24)/t15-/m1/s1
InChIKeyQDNHRMFFSDWZBM-OAHLLOKOSA-N
MW350.34 g/mol
LogP3.34
Rot. Bonds4

About N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide

N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 126431501) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID126431501
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)25-16-7-5-13(6-8-16)12-1-3-14(4-2-12)17(24)23-15-9-10-22-11-15/h1-8,15,22H,9-11H2,(H,23,24)/t15-/m1/s1
InChIKeyQDNHRMFFSDWZBM-OAHLLOKOSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(trifluoromethoxy)benzamide
CID 116629058
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
N-pyrrolidin-3-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;hydrochloride
CID 119449677
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide (CID 126431501) is N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide is O=C(N[C@@H]1CCNC1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is QDNHRMFFSDWZBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)25-16-7-5-13(6-8-16)12-1-3-14(4-2-12)17(24)23-15-9-10-22-11-15/h1-8,15,22H,9-11H2,(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide?
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 126431501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).