4-(aminomethyl)-N-ethyl-2-fluorobenzamide

C10H13FN2O — CID 90167372

IUPAC4-(aminomethyl)-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(CN)cc1F
InChIInChI=1S/C10H13FN2O/c1-2-13-10(14)8-4-3-7(6-12)5-9(8)11/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyNVDCIKFDAFZBSN-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.03
Rot. Bonds3

About 4-(aminomethyl)-N-ethyl-2-fluorobenzamide

4-(aminomethyl)-N-ethyl-2-fluorobenzamide (PubChem CID 90167372) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-2-fluorobenzamide
PubChem CID90167372
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-(aminomethyl)-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(CN)cc1F
InChIInChI=1S/C10H13FN2O/c1-2-13-10(14)8-4-3-7(6-12)5-9(8)11/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyNVDCIKFDAFZBSN-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-4-propan-2-ylbenzamide
CID 174350418
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107674361
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237
4-azido-N-ethyl-2-fluorobenzamide
CID 140535519
4-(aminomethyl)-2-fluoro-N-pyridin-3-ylbenzamide
CID 70655233
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801076
2-fluoro-4-propylbenzamide
CID 175786906
N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
CID 123952804
2-amino-N-ethyl-5-(fluoromethyl)benzamide
CID 89164524
4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride
CID 118377100

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-(aminomethyl)-N-ethyl-2-fluorobenzamide (CID 90167372) is 4-(aminomethyl)-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-2-fluorobenzamide is CCNC(=O)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-2-fluorobenzamide?
The InChIKey is NVDCIKFDAFZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-13-10(14)8-4-3-7(6-12)5-9(8)11/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-N-ethyl-2-fluorobenzamide?
4-(aminomethyl)-N-ethyl-2-fluorobenzamide has a molecular weight of 196.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 90167372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).