N-[3-(aminomethyl)-4-fluorophenyl]acetamide

C9H11FN2O — CID 62317128

IUPACN-[3-(aminomethyl)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C9H11FN2O/c1-6(13)12-8-2-3-9(10)7(4-8)5-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeySFLQAHRUMVPZIC-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.24
Rot. Bonds2

About N-[3-(aminomethyl)-4-fluorophenyl]acetamide

N-[3-(aminomethyl)-4-fluorophenyl]acetamide (PubChem CID 62317128) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]acetamide
PubChem CID62317128
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C9H11FN2O/c1-6(13)12-8-2-3-9(10)7(4-8)5-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeySFLQAHRUMVPZIC-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
N-[4-acetyl-3-(aminomethyl)phenyl]acetamide
CID 150539337
3-(aminomethyl)-4-fluoro-N-methylaniline
CID 82502624
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171
N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
CID 62317484
N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide
CID 113382054
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 62316950
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
CID 79159528

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]acetamide (CID 62317128) is N-[3-(aminomethyl)-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]acetamide?
The InChIKey is SFLQAHRUMVPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6(13)12-8-2-3-9(10)7(4-8)5-11/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]acetamide?
N-[3-(aminomethyl)-4-fluorophenyl]acetamide has a molecular weight of 182.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]acetamide is sourced from PubChem (CID 62317128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).