5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide

C12H14BrFN2O2 — CID 62816289

IUPAC5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1cc(C(=O)N(CCO)C2CC2)c(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c13-9-6-10(14)11(15)5-8(9)12(18)16(3-4-17)7-1-2-7/h5-7,17H,1-4,15H2
InChIKeyAJXNWRXRBQYWCE-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.77
Rot. Bonds4

About 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide

5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 62816289) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID62816289
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1cc(C(=O)N(CCO)C2CC2)c(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c13-9-6-10(14)11(15)5-8(9)12(18)16(3-4-17)7-1-2-7/h5-7,17H,1-4,15H2
InChIKeyAJXNWRXRBQYWCE-UHFFFAOYSA-N
XLogP1.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.77
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

5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 114011338
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 62815261
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
2-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62187031
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide (CID 62816289) is 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide is Nc1cc(C(=O)N(CCO)C2CC2)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is AJXNWRXRBQYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-9-6-10(14)11(15)5-8(9)12(18)16(3-4-17)7-1-2-7/h5-7,17H,1-4,15H2.
What are the key properties of 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide?
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 317.16 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 62816289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).