(1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone

C11H8Cl2N2O — CID 14371423

IUPAC(1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone
SMILESNn1cccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-3-4-8(9(13)6-7)11(16)10-2-1-5-15(10)14/h1-6H,14H2
InChIKeyIBSMDSGDXZRZOP-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.74
Rot. Bonds2

About (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone

(1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone (PubChem CID 14371423) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone
PubChem CID14371423
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name(1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone
SMILESNn1cccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-3-4-8(9(13)6-7)11(16)10-2-1-5-15(10)14/h1-6H,14H2
InChIKeyIBSMDSGDXZRZOP-UHFFFAOYSA-N
XLogP2.74
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 115806610
(2,4-dichlorophenyl)-pyrimidin-2-ylmethanone
CID 154508101
(2,4-dichlorophenyl)-(3-methylimidazol-4-yl)methanone
CID 71711489
2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
CID 130477601
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229

Frequently Asked Questions

What is the IUPAC name of (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone (CID 14371423) is (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone is Nn1cccc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone?
The InChIKey is IBSMDSGDXZRZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-7-3-4-8(9(13)6-7)11(16)10-2-1-5-15(10)14/h1-6H,14H2.
What are the key properties of (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone?
(1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone has a molecular weight of 255.10 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopyrrol-2-yl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 14371423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).