4-[(2-fluoroanilino)methyl]-N-methylbenzamide

C15H15FN2O — CID 54888541

IUPAC4-[(2-fluoroanilino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-17-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyPRDKQWSOHRJWKZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.80
Rot. Bonds4

About 4-[(2-fluoroanilino)methyl]-N-methylbenzamide

4-[(2-fluoroanilino)methyl]-N-methylbenzamide (PubChem CID 54888541) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-[(2-fluoroanilino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-fluoroanilino)methyl]-N-methylbenzamide
PubChem CID54888541
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-[(2-fluoroanilino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-17-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyPRDKQWSOHRJWKZ-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
CID 170564867
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
2-fluoro-N-[(4-iodophenyl)methyl]aniline
CID 65477560
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
2-fluoro-4-[(2-fluoroanilino)methyl]benzoic acid
CID 106699613
4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 134006291
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
CID 134537275
4-[[3-(2-fluorophenyl)sulfanylpropanoylamino]methyl]-N-methylbenzamide
CID 134007376
4-[(4-chloro-2-cyanoanilino)methyl]-N-methylbenzamide
CID 133285780
4-[(4-fluoro-3-methoxyanilino)methyl]-N-methylbenzamide
CID 114838796
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoroanilino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(2-fluoroanilino)methyl]-N-methylbenzamide (CID 54888541) is 4-[(2-fluoroanilino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-fluoroanilino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2-fluoroanilino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluoroanilino)methyl]-N-methylbenzamide?
The InChIKey is PRDKQWSOHRJWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-17-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of 4-[(2-fluoroanilino)methyl]-N-methylbenzamide?
4-[(2-fluoroanilino)methyl]-N-methylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoroanilino)methyl]-N-methylbenzamide is sourced from PubChem (CID 54888541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).