(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone

C16H16Cl3N3O — CID 86903667

IUPAC(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H16Cl3N3O/c17-12-8-14(20-9-12)16(23)22-6-4-21(5-7-22)10-11-2-1-3-13(18)15(11)19/h1-3,8-9,20H,4-7,10H2
InChIKeyIZDDUNOLVQWKFT-UHFFFAOYSA-N
MW372.68 g/mol
LogP3.93
Rot. Bonds3

About (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 86903667) has the molecular formula C16H16Cl3N3O and a molecular weight of 372.68 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID86903667
Molecular FormulaC16H16Cl3N3O
Molecular Weight372.68 g/mol
Exact Mass371.04
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)c[nH]1)N1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H16Cl3N3O/c17-12-8-14(20-9-12)16(23)22-6-4-21(5-7-22)10-11-2-1-3-13(18)15(11)19/h1-3,8-9,20H,4-7,10H2
InChIKeyIZDDUNOLVQWKFT-UHFFFAOYSA-N
XLogP3.93
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.68
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(4-chloro-1H-pyrrol-2-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810863
[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32523893
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
2-[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156894
(4-chloro-1H-pyrrol-2-yl)-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56815832
3-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 86903574
N-[5-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methylphenyl]acetamide
CID 86903584
(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903514
[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 86903571
(4-chloro-1H-pyrrol-2-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 47525513
[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(methylamino)phenyl]methanone
CID 129043182

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 86903667) is (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1cc(Cl)c[nH]1)N1CCN(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is IZDDUNOLVQWKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N3O/c17-12-8-14(20-9-12)16(23)22-6-4-21(5-7-22)10-11-2-1-3-13(18)15(11)19/h1-3,8-9,20H,4-7,10H2.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 372.68 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86903667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).