N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide

C17H18FNO3 — CID 78796913

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H18FNO3/c1-19(11-12-7-8-16(22-3)15(18)9-12)17(20)13-5-4-6-14(10-13)21-2/h4-10H,11H2,1-3H3
InChIKeyJPIMDTAJBSDNQP-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.12
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide (PubChem CID 78796913) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
PubChem CID78796913
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H18FNO3/c1-19(11-12-7-8-16(22-3)15(18)9-12)17(20)13-5-4-6-14(10-13)21-2/h4-10H,11H2,1-3H3
InChIKeyJPIMDTAJBSDNQP-UHFFFAOYSA-N
XLogP3.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 17438125
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide (CID 78796913) is N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide?
The InChIKey is JPIMDTAJBSDNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-19(11-12-7-8-16(22-3)15(18)9-12)17(20)13-5-4-6-14(10-13)21-2/h4-10H,11H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 78796913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).