N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine

C24H20ClFN2 — CID 175843985

IUPACN,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine
SMILESFc1cc(Cl)ccc1-c1c[nH]cc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H20ClFN2/c25-20-11-12-21(23(26)13-20)22-14-27-15-24(22)28(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-15,27H,16-17H2
InChIKeyWPTQCXCVIJFKCA-UHFFFAOYSA-N
MW390.89 g/mol
LogP6.68
Rot. Bonds6

About N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine

N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine (PubChem CID 175843985) has the molecular formula C24H20ClFN2 and a molecular weight of 390.89 g/mol. Its IUPAC name is N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine
PubChem CID175843985
Molecular FormulaC24H20ClFN2
Molecular Weight390.89 g/mol
Exact Mass390.13
IUPAC NameN,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine
SMILESFc1cc(Cl)ccc1-c1c[nH]cc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H20ClFN2/c25-20-11-12-21(23(26)13-20)22-14-27-15-24(22)28(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-15,27H,16-17H2
InChIKeyWPTQCXCVIJFKCA-UHFFFAOYSA-N
XLogP6.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.89
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-{4-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole
CID 10386308
4-[5-(4-Chloro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 12967031
4-[5-(4-Chloro-phenyl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 44323635
4-[2-(4-Chloro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44323842
4-[5-(4-Chloro-phenyl)-2-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44323966
4-[5-(4-Chloro-phenyl)-3-phenyl-1H-pyrrol-2-yl]-pyridine
CID 44372888
{2-[5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrol-3-yl]-phenyl}-propyl-amine
CID 44373213
3-((4-(4-chlorophenyl)-4-fluoropiperidin-1-yl)methyl)-1H-indole
CID 44438221
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 17583092
Pyrrole,3-morpholino-4-(4-chlorophenyl)
CID 10539450
3-(4-chlorophenyl)-4-nitro-1H-pyrrole
CID 470427
N-((4-Chlorophenyl)(1H-indol-3-yl)methyl)-N-methylbenzenamine
CID 44195626

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine?
The IUPAC name of N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine (CID 175843985) is N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine.
What is the SMILES notation for N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine?
The canonical SMILES for N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine is Fc1cc(Cl)ccc1-c1c[nH]cc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine?
The InChIKey is WPTQCXCVIJFKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2/c25-20-11-12-21(23(26)13-20)22-14-27-15-24(22)28(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-15,27H,16-17H2.
What are the key properties of N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine?
N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine has a molecular weight of 390.89 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(4-chloro-2-fluorophenyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 175843985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).