4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide

C16H17FN2O2 — CID 115733832

IUPAC4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-8-7-13(9-14(15)17)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyJZGJRHAEBISJIC-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.94
Rot. Bonds5

About 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide

4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide (PubChem CID 115733832) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
PubChem CID115733832
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-8-7-13(9-14(15)17)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyJZGJRHAEBISJIC-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide (CID 115733832) is 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The InChIKey is JZGJRHAEBISJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-21-15-8-7-13(9-14(15)17)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide has a molecular weight of 288.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide is sourced from PubChem (CID 115733832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).