N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

C18H16ClF3N2O — CID 25175783

IUPACN-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O/c19-13-4-3-5-14(11-13)23-17(25)12-6-7-16(24-8-1-2-9-24)15(10-12)18(20,21)22/h3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyZWJCADAIXONELP-UHFFFAOYSA-N
MW368.79 g/mol
LogP5.21
Rot. Bonds3

About N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 25175783) has the molecular formula C18H16ClF3N2O and a molecular weight of 368.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID25175783
Molecular FormulaC18H16ClF3N2O
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC NameN-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O/c19-13-4-3-5-14(11-13)23-17(25)12-6-7-16(24-8-1-2-9-24)15(10-12)18(20,21)22/h3-7,10-11H,1-2,8-9H2,(H,23,25)
InChIKeyZWJCADAIXONELP-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.79
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Opc 51803
CID 3038506
Benzazepinelidene acetamide derivative, 1d
CID 44520849
Benzazepinelidene acetamide derivative, 1f
CID 44520851
sEH inhibitor B15
CID 164946818
N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 850559
3-chloro-N-[4-(pyrrolidin-1-yl)phenyl]benzamide
CID 960879
N-[4-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
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CID 16546688
N-(3-Chloro-4-pyrrolidin-1-yl-phenyl)-2-fluoro-benzamide
CID 740785
(2-Chloro-4-pyrrolidin-1-yl-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
CID 10043741
2-[1-(2-Chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl]-N-isopropyl-acetamide
CID 11070458
N-(3-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)benzamide
CID 24884480

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 25175783) is N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is ZWJCADAIXONELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O/c19-13-4-3-5-14(11-13)23-17(25)12-6-7-16(24-8-1-2-9-24)15(10-12)18(20,21)22/h3-7,10-11H,1-2,8-9H2,(H,23,25).
What are the key properties of N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 368.79 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25175783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).