N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide

C9H10BrFN2O — CID 150744639

IUPACN-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(F)cc1CN
InChIInChI=1S/C9H10BrFN2O/c1-5(14)13-9-3-7(10)8(11)2-6(9)4-12/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyJUOPJLBMCOPALP-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.01
Rot. Bonds2

About N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide

N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide (PubChem CID 150744639) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide
PubChem CID150744639
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC NameN-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(F)cc1CN
InChIInChI=1S/C9H10BrFN2O/c1-5(14)13-9-3-7(10)8(11)2-6(9)4-12/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyJUOPJLBMCOPALP-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
4-acetamido-3-(aminomethyl)benzoic acid
CID 19359198
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
2-acetamido-N-(5-bromo-2,4-difluorophenyl)-3-sulfanylpropanamide
CID 107769972
O-ethyl 2-(5-acetamido-2-bromo-4-fluorophenyl)ethanethioate
CID 139689956
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
CID 107591392

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide?
The IUPAC name of N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide (CID 150744639) is N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide?
The canonical SMILES for N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide is CC(=O)Nc1cc(Br)c(F)cc1CN.
What is the InChIKey of N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide?
The InChIKey is JUOPJLBMCOPALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-5(14)13-9-3-7(10)8(11)2-6(9)4-12/h2-3H,4,12H2,1H3,(H,13,14).
What are the key properties of N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide?
N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide has a molecular weight of 261.09 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-bromo-4-fluorophenyl]acetamide is sourced from PubChem (CID 150744639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).