N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide

C17H18FNO2 — CID 131891690

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
SMILESCOc1cccc(C)c1C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C17H18FNO2/c1-11-5-4-6-15(21-3)16(11)17(20)19-10-13-7-8-14(18)12(2)9-13/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyCTEBLWWARZQGFJ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.38
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide (PubChem CID 131891690) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
PubChem CID131891690
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
SMILESCOc1cccc(C)c1C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C17H18FNO2/c1-11-5-4-6-15(21-3)16(11)17(20)19-10-13-7-8-14(18)12(2)9-13/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyCTEBLWWARZQGFJ-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
2-[(4-carboxy-3-fluorophenyl)methylcarbamoyl]-6-methoxybenzoic acid
CID 122575722
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784391
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901348

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide (CID 131891690) is N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide is COc1cccc(C)c1C(=O)NCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide?
The InChIKey is CTEBLWWARZQGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-5-4-6-15(21-3)16(11)17(20)19-10-13-7-8-14(18)12(2)9-13/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide is sourced from PubChem (CID 131891690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).