(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone

C17H11ClF2N2O — CID 175550278

IUPAC(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
SMILESNc1ccc(F)c(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)c2)c1F
InChIInChI=1S/C17H11ClF2N2O/c18-11-3-1-9(2-4-11)14-7-10(8-22-14)17(23)15-12(19)5-6-13(21)16(15)20/h1-8,22H,21H2
InChIKeyWVUJPXKBWKLQLB-UHFFFAOYSA-N
MW332.74 g/mol
LogP4.43
Rot. Bonds3

About (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone

(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone (PubChem CID 175550278) has the molecular formula C17H11ClF2N2O and a molecular weight of 332.74 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
PubChem CID175550278
Molecular FormulaC17H11ClF2N2O
Molecular Weight332.74 g/mol
Exact Mass332.05
IUPAC Name(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
SMILESNc1ccc(F)c(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)c2)c1F
InChIInChI=1S/C17H11ClF2N2O/c18-11-3-1-9(2-4-11)14-7-10(8-22-14)17(23)15-12(19)5-6-13(21)16(15)20/h1-8,22H,21H2
InChIKeyWVUJPXKBWKLQLB-UHFFFAOYSA-N
XLogP4.43
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone
CID 79773346
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
(3-amino-2,6-difluorophenyl)-(5-quinazolin-6-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 89103743
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
1-(3-amino-2-chloro-6-fluorophenyl)ethanone
CID 83410231
(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone
CID 79773002
(3-amino-2,6-difluorophenyl)-(5-isocyano-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59569607
(3-amino-6-chloro-2-fluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68669752

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone (CID 175550278) is (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone is Nc1ccc(F)c(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)c2)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?
The InChIKey is WVUJPXKBWKLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O/c18-11-3-1-9(2-4-11)14-7-10(8-22-14)17(23)15-12(19)5-6-13(21)16(15)20/h1-8,22H,21H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone?
(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone has a molecular weight of 332.74 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 175550278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).