N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide

C16H17FN2O2 — CID 102881845

IUPACN-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cccc(CN)c2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-19(12-5-3-4-11(8-12)10-18)16(20)14-7-6-13(21-2)9-15(14)17/h3-9H,10,18H2,1-2H3
InChIKeySSKSKHUNZBPHTO-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.57
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide

N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 102881845) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
PubChem CID102881845
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cccc(CN)c2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-19(12-5-3-4-11(8-12)10-18)16(20)14-7-6-13(21-2)9-15(14)17/h3-9H,10,18H2,1-2H3
InChIKeySSKSKHUNZBPHTO-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881879
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
N-[2-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881851
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
CID 62970953
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
4-fluoro-2-hydroxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107015204
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide (CID 102881845) is N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)c2cccc(CN)c2)c(F)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is SSKSKHUNZBPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(12-5-3-4-11(8-12)10-18)16(20)14-7-6-13(21-2)9-15(14)17/h3-9H,10,18H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide?
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 102881845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).