2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide

C15H14BrFN2O — CID 81317663

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c16-13-8-12(17)5-6-14(13)19-15(20)7-10-3-1-2-4-11(10)9-18/h1-6,8H,7,9,18H2,(H,19,20)
InChIKeyILLRNVFPMNBPKP-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide (PubChem CID 81317663) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
PubChem CID81317663
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
SMILESNCc1ccccc1CC(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c16-13-8-12(17)5-6-14(13)19-15(20)7-10-3-1-2-4-11(10)9-18/h1-6,8H,7,9,18H2,(H,19,20)
InChIKeyILLRNVFPMNBPKP-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
N-(2-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 43134285
(2-bromo-4-fluorophenyl)urea
CID 28939155
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide
CID 103832912
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
2-[2-(aminomethyl)phenyl]-N-(3-bromo-2-hydroxyphenyl)acetamide
CID 81499893
N-(2-bromo-4-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 62503410
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide (CID 81317663) is 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide is NCc1ccccc1CC(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide?
The InChIKey is ILLRNVFPMNBPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-13-8-12(17)5-6-14(13)19-15(20)7-10-3-1-2-4-11(10)9-18/h1-6,8H,7,9,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide is sourced from PubChem (CID 81317663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).