N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide

C16H17FN2O2 — CID 62920214

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CN)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-13(8-14(15)17)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyNDSGVNPOIGEIPQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.22
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide

N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide (PubChem CID 62920214) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
PubChem CID62920214
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(CN)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-13(8-14(15)17)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyNDSGVNPOIGEIPQ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide (CID 62920214) is N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(CN)cc2)cc1F.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide?
The InChIKey is NDSGVNPOIGEIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15-7-6-13(8-14(15)17)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 62920214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).