2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide

C13H12BrClFN3O2 — CID 70341615

IUPAC2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide
SMILESBr.NCC(=O)Nn1c(Cl)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C13H11ClFN3O2.BrH/c14-11-6-5-10(18(11)17-12(19)7-16)13(20)8-3-1-2-4-9(8)15;/h1-6H,7,16H2,(H,17,19);1H
InChIKeyWIGQCDLRGVAKAD-UHFFFAOYSA-N
MW376.61 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide

2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide (PubChem CID 70341615) has the molecular formula C13H12BrClFN3O2 and a molecular weight of 376.61 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide
PubChem CID70341615
Molecular FormulaC13H12BrClFN3O2
Molecular Weight376.61 g/mol
Exact Mass374.98
IUPAC Name2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide
SMILESBr.NCC(=O)Nn1c(Cl)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C13H11ClFN3O2.BrH/c14-11-6-5-10(18(11)17-12(19)7-16)13(20)8-3-1-2-4-9(8)15;/h1-6H,7,16H2,(H,17,19);1H
InChIKeyWIGQCDLRGVAKAD-UHFFFAOYSA-N
XLogP2.12
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
N-[2-(2-fluorobenzoyl)pyrrol-1-yl]-2-(methylamino)acetamide
CID 23367307
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
1-(2-fluorophenyl)butane-1,3-dione
CID 15169784
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide
CID 39184440
5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
CID 21331553
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
CID 125473497
(2-fluorophenyl)-(2-hydroxypyrazol-3-yl)methanone
CID 101167756
2-fluorobenzoic acid;oxalic acid;hydrate
CID 172785033
6-chloro-2-(2-fluorobenzoyl)pyridine-3-carbohydrazide
CID 174755860
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide?
The IUPAC name of 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide (CID 70341615) is 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide is Br.NCC(=O)Nn1c(Cl)ccc1C(=O)c1ccccc1F.
What is the InChIKey of 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide?
The InChIKey is WIGQCDLRGVAKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2.BrH/c14-11-6-5-10(18(11)17-12(19)7-16)13(20)8-3-1-2-4-9(8)15;/h1-6H,7,16H2,(H,17,19);1H.
What are the key properties of 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide?
2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide has a molecular weight of 376.61 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide is sourced from PubChem (CID 70341615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).