(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone

C22H18Cl2FN3O2 — CID 1491151

IUPAC(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone
SMILESO=C(c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H18Cl2FN3O2/c23-16-5-3-4-15(20(16)24)21(29)14-12-18(26-13-14)22(30)28-10-8-27(9-11-28)19-7-2-1-6-17(19)25/h1-7,12-13,26H,8-11H2
InChIKeyYVUVBOWZKDSKHW-UHFFFAOYSA-N
MW446.31 g/mol
LogP4.65
Rot. Bonds4

About (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone

(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone (PubChem CID 1491151) has the molecular formula C22H18Cl2FN3O2 and a molecular weight of 446.31 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone
PubChem CID1491151
Molecular FormulaC22H18Cl2FN3O2
Molecular Weight446.31 g/mol
Exact Mass445.08
IUPAC Name(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone
SMILESO=C(c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H18Cl2FN3O2/c23-16-5-3-4-15(20(16)24)21(29)14-12-18(26-13-14)22(30)28-10-8-27(9-11-28)19-7-2-1-6-17(19)25/h1-7,12-13,26H,8-11H2
InChIKeyYVUVBOWZKDSKHW-UHFFFAOYSA-N
XLogP4.65
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,3-Bis(Chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-Bis(Chloranyl)phenyl]carbonyl-1-Methyl-Pyrrol-2-Yl]carbonylamino]ethyl]-1-Methyl-Pyrrole-2-Carboxamide
CID 127021031
4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 1478396
4-(4-Chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 1482334
4-(2-phenylacetyl)-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 1489198
4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 2766547
2-amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide
CID 284708
1-(4-benzoylpiperazin-1-yl)-2-(4-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 506215
4-[2-(4-chlorophenyl)acetyl]-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 3618231
4-(3,6-dichloro-2-fluorobenzoyl)-N-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 118958989
4-(2,6-difluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 118959076
4-(2-chloro-6-fluorobenzoyl)-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 118959089
4-(3,6-dichloro-2-fluorobenzoyl)-N-(2-piperazin-1-ylpyrimidin-5-yl)-1H-pyrrole-2-carboxamide
CID 134610412

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone (CID 1491151) is (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone is O=C(c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone?
The InChIKey is YVUVBOWZKDSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN3O2/c23-16-5-3-4-15(20(16)24)21(29)14-12-18(26-13-14)22(30)28-10-8-27(9-11-28)19-7-2-1-6-17(19)25/h1-7,12-13,26H,8-11H2.
What are the key properties of (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone?
(2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone has a molecular weight of 446.31 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 1491151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).