4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide

C16H17FN2O2 — CID 114838796

IUPAC4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-18-16(20)12-5-3-11(4-6-12)10-19-13-7-8-14(17)15(9-13)21-2/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyJERHUWGJYQEZJP-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.81
Rot. Bonds5

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

4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide (PubChem CID 114838796) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
PubChem CID114838796
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C16H17FN2O2/c1-18-16(20)12-5-3-11(4-6-12)10-19-13-7-8-14(17)15(9-13)21-2/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyJERHUWGJYQEZJP-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
2-fluoro-4-[(4-fluoro-3-methoxyanilino)methyl]benzoic acid
CID 106700567
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
N-(4,5-difluoro-2-methylphenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
CID 142928445
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773
N-[(3,4-dibromophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838318
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide (CID 114838796) is 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNc2ccc(F)c(OC)c2)cc1.
What is the InChIKey of 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide?
The InChIKey is JERHUWGJYQEZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-18-16(20)12-5-3-11(4-6-12)10-19-13-7-8-14(17)15(9-13)21-2/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide?
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide is sourced from PubChem (CID 114838796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).