N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide

C16H13FN2O2 — CID 80973356

IUPACN-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-21-15-8-13(6-7-14(15)17)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,10H2,1H3,(H,19,20)
InChIKeyOJUAALDEUHSOKL-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.64
Rot. Bonds4

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

N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide (PubChem CID 80973356) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
PubChem CID80973356
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-21-15-8-13(6-7-14(15)17)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,10H2,1H3,(H,19,20)
InChIKeyOJUAALDEUHSOKL-UHFFFAOYSA-N
XLogP2.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46587460
3-amino-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 61102737
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
3-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-4-methoxybenzamide
CID 46591114
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
tert-butyl N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]carbamate
CID 46591116
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide (CID 80973356) is N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1F.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is OJUAALDEUHSOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-15-8-13(6-7-14(15)17)16(20)19-10-12-4-2-11(9-18)3-5-12/h2-8H,10H2,1H3,(H,19,20).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide?
N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 80973356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).