N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide

C14H11BrF2N2O — CID 82862460

IUPACN-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide
SMILESNc1ccc(NC(=O)Cc2cccc(F)c2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c15-10-7-9(4-5-12(10)18)19-13(20)6-8-2-1-3-11(16)14(8)17/h1-5,7H,6,18H2,(H,19,20)
InChIKeyRQDPJUMJJHPDEN-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.49
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide

N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide (PubChem CID 82862460) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide
PubChem CID82862460
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC NameN-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide
SMILESNc1ccc(NC(=O)Cc2cccc(F)c2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c15-10-7-9(4-5-12(10)18)19-13(20)6-8-2-1-3-11(16)14(8)17/h1-5,7H,6,18H2,(H,19,20)
InChIKeyRQDPJUMJJHPDEN-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.49
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

N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(5-bromonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide
CID 146022091
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
N-(3-methylphenyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487504
2-(2-aminophenyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 61466448
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide
CID 113414811
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide (CID 82862460) is N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide is Nc1ccc(NC(=O)Cc2cccc(F)c2F)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide?
The InChIKey is RQDPJUMJJHPDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c15-10-7-9(4-5-12(10)18)19-13(20)6-8-2-1-3-11(16)14(8)17/h1-5,7H,6,18H2,(H,19,20).
What are the key properties of N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide?
N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide has a molecular weight of 341.16 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 82862460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).