2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide

C14H19F2N3O — CID 62654718

IUPAC2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2cc(C(N)=O)c(F)cc2F)C1
InChIInChI=1S/C14H19F2N3O/c1-19-4-2-3-9(8-19)7-18-13-5-10(14(17)20)11(15)6-12(13)16/h5-6,9,18H,2-4,7-8H2,1H3,(H2,17,20)
InChIKeyYMSFXDHZNIEWNN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.82
Rot. Bonds4

About 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide

2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 62654718) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID62654718
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2cc(C(N)=O)c(F)cc2F)C1
InChIInChI=1S/C14H19F2N3O/c1-19-4-2-3-9(8-19)7-18-13-5-10(14(17)20)11(15)6-12(13)16/h5-6,9,18H,2-4,7-8H2,1H3,(H2,17,20)
InChIKeyYMSFXDHZNIEWNN-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62654717
4-bromo-2,5-difluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107609339
2-[(1-methylpiperidin-3-yl)methylamino]-5-nitrobenzamide
CID 133454540
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 107195432
5-bromo-2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62654177
3,5-difluoro-1-N-[(1-methylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 113325246
2-fluoro-6-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 79522921
5-(cyclopropylmethylamino)-2,4-difluorobenzoic acid
CID 43737180
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 62654718) is 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide is CN1CCCC(CNc2cc(C(N)=O)c(F)cc2F)C1.
What is the InChIKey of 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is YMSFXDHZNIEWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-19-4-2-3-9(8-19)7-18-13-5-10(14(17)20)11(15)6-12(13)16/h5-6,9,18H,2-4,7-8H2,1H3,(H2,17,20).
What are the key properties of 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide?
2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 283.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 62654718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).