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

C14H11BrF2N2O — CID 82861408

IUPACN-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
SMILESNc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c15-10-7-9(2-4-13(10)18)19-14(20)6-8-1-3-11(16)12(17)5-8/h1-5,7H,6,18H2,(H,19,20)
InChIKeyKXGAEBIDJKSYRV-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.49
Rot. Bonds3

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

N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 82861408) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
PubChem CID82861408
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC NameN-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
SMILESNc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1Br
InChIInChI=1S/C14H11BrF2N2O/c15-10-7-9(2-4-13(10)18)19-14(20)6-8-1-3-11(16)12(17)5-8/h1-5,7H,6,18H2,(H,19,20)
InChIKeyKXGAEBIDJKSYRV-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-(2,3-difluorophenyl)acetamide
CID 82862460
N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 146022041
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
N-(3-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 113257060
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 115661346
N-(4-amino-3-bromophenyl)-3,3-dimethylbutanamide
CID 82861698
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide (CID 82861408) is N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide is Nc1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is KXGAEBIDJKSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c15-10-7-9(2-4-13(10)18)19-14(20)6-8-1-3-11(16)12(17)5-8/h1-5,7H,6,18H2,(H,19,20).
What are the key properties of N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide?
N-(4-amino-3-bromophenyl)-2-(3,4-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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 82861408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).