N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide

C17H18FNO3 — CID 52570640

IUPACN-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(F)c2)cc(OC)c1C
InChIInChI=1S/C17H18FNO3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-10-12-5-4-6-14(18)7-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyNMKPCPCXXHQCCF-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.08
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide

N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 52570640) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID52570640
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2cccc(F)c2)cc(OC)c1C
InChIInChI=1S/C17H18FNO3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-10-12-5-4-6-14(18)7-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyNMKPCPCXXHQCCF-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
CID 119246780
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635886
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide (CID 52570640) is N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCc2cccc(F)c2)cc(OC)c1C.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is NMKPCPCXXHQCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-10-12-5-4-6-14(18)7-12/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide?
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 52570640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).