2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide

C11H10BrFN4O — CID 166349810

IUPAC2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCN(C(=O)c1cc(Br)c(F)cc1N)c1cn[nH]c1
InChIInChI=1S/C11H10BrFN4O/c1-17(6-4-15-16-5-6)11(18)7-2-8(12)9(13)3-10(7)14/h2-5H,14H2,1H3,(H,15,16)
InChIKeyALDDQWZIXDLXHN-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.17
Rot. Bonds2

About 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide

2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 166349810) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID166349810
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCN(C(=O)c1cc(Br)c(F)cc1N)c1cn[nH]c1
InChIInChI=1S/C11H10BrFN4O/c1-17(6-4-15-16-5-6)11(18)7-2-8(12)9(13)3-10(7)14/h2-5H,14H2,1H3,(H,15,16)
InChIKeyALDDQWZIXDLXHN-UHFFFAOYSA-N
XLogP2.17
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide
CID 167816898
2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
CID 146196960
5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide
CID 166349837
8-bromo-N-methyl-N-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 166349836
methyl 2-amino-4-bromo-5-fluorobenzoate;hydrochloride
CID 91647667
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463
8-fluoro-N-methyl-N-(1H-pyrazol-4-yl)imidazo[1,5-a]pyridine-3-carboxamide
CID 166293884
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 114088400
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 166349810) is 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide is CN(C(=O)c1cc(Br)c(F)cc1N)c1cn[nH]c1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is ALDDQWZIXDLXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c1-17(6-4-15-16-5-6)11(18)7-2-8(12)9(13)3-10(7)14/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 313.13 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 166349810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).