N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide

C17H19FN2O — CID 31969058

IUPACN-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1F
InChIInChI=1S/C17H19FN2O/c1-12-8-9-13(10-15(12)18)17(21)19-16-7-5-4-6-14(16)11-20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyNKJOHNWIPMQFCH-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.45
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide

N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide (PubChem CID 31969058) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
PubChem CID31969058
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1F
InChIInChI=1S/C17H19FN2O/c1-12-8-9-13(10-15(12)18)17(21)19-16-7-5-4-6-14(16)11-20(2)3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyNKJOHNWIPMQFCH-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375
3-amino-4-bromo-N-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 107812862
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
N-[2-[(dimethylamino)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38436444
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide (CID 31969058) is N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1F.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is NKJOHNWIPMQFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-8-9-13(10-15(12)18)17(21)19-16-7-5-4-6-14(16)11-20(2)3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide?
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 31969058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).