N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide

C19H17F3N2O3 — CID 30684530

IUPACN-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)27-16-9-5-13(6-10-16)17(25)23-15-7-3-14(4-8-15)18(26)24-11-1-2-12-24/h3-10H,1-2,11-12H2,(H,23,25)
InChIKeyYYDPEAFHDYYCGV-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.07
Rot. Bonds4

About N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide

N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 30684530) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID30684530
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)27-16-9-5-13(6-10-16)17(25)23-15-7-3-14(4-8-15)18(26)24-11-1-2-12-24/h3-10H,1-2,11-12H2,(H,23,25)
InChIKeyYYDPEAFHDYYCGV-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 154455683
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 62491616
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111036755
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide (CID 30684530) is N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is YYDPEAFHDYYCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)27-16-9-5-13(6-10-16)17(25)23-15-7-3-14(4-8-15)18(26)24-11-1-2-12-24/h3-10H,1-2,11-12H2,(H,23,25).
What are the key properties of N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 378.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 30684530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).