4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide

C25H24ClFN2O — CID 23108731

IUPAC4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C2CCN(Cc3ccc(F)cc3)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClFN2O/c26-23-8-6-20(7-9-23)25(30)28-15-19-2-1-3-21(14-19)22-12-13-29(17-22)16-18-4-10-24(27)11-5-18/h1-11,14,22H,12-13,15-17H2,(H,28,30)
InChIKeyGFFBCQCUTSLHOL-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.40
Rot. Bonds6

About 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide

4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide (PubChem CID 23108731) has the molecular formula C25H24ClFN2O and a molecular weight of 422.93 g/mol. Its IUPAC name is 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide
PubChem CID23108731
Molecular FormulaC25H24ClFN2O
Molecular Weight422.93 g/mol
Exact Mass422.16
IUPAC Name4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C2CCN(Cc3ccc(F)cc3)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H24ClFN2O/c26-23-8-6-20(7-9-23)25(30)28-15-19-2-1-3-21(14-19)22-12-13-29(17-22)16-18-4-10-24(27)11-5-18/h1-11,14,22H,12-13,15-17H2,(H,28,30)
InChIKeyGFFBCQCUTSLHOL-UHFFFAOYSA-N
XLogP5.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[[3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108835
N-[[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108747
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
4-methylsulfanyl-N-[[3-[1-(3-methylsulfanylpropyl)piperidin-4-yl]phenyl]methyl]benzamide
CID 23108845
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 53279655
N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858798
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[(3-ethoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43907292

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide (CID 23108731) is 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide is O=C(NCc1cccc(C2CCN(Cc3ccc(F)cc3)C2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide?
The InChIKey is GFFBCQCUTSLHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O/c26-23-8-6-20(7-9-23)25(30)28-15-19-2-1-3-21(14-19)22-12-13-29(17-22)16-18-4-10-24(27)11-5-18/h1-11,14,22H,12-13,15-17H2,(H,28,30).
What are the key properties of 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide?
4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide has a molecular weight of 422.93 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 23108731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).