N-benzyl-3-fluoro-2-(methylamino)benzamide

C15H15FN2O — CID 55100092

IUPACN-benzyl-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H15FN2O/c1-17-14-12(8-5-9-13(14)16)15(19)18-10-11-6-3-2-4-7-11/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyNAPNDILYXGSSNT-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.80
Rot. Bonds4

About N-benzyl-3-fluoro-2-(methylamino)benzamide

N-benzyl-3-fluoro-2-(methylamino)benzamide (PubChem CID 55100092) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-benzyl-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-3-fluoro-2-(methylamino)benzamide
PubChem CID55100092
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-benzyl-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1ccccc1
InChIInChI=1S/C15H15FN2O/c1-17-14-12(8-5-9-13(14)16)15(19)18-10-11-6-3-2-4-7-11/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyNAPNDILYXGSSNT-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

N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
2-(ethylamino)-3-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 62649385
N-[(4-bromophenyl)methyl]-2-(ethylamino)-3-fluorobenzamide
CID 62649718
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-benzyl-3-fluoro-2-(methylamino)benzamide (CID 55100092) is N-benzyl-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-benzyl-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-benzyl-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-fluoro-2-(methylamino)benzamide?
The InChIKey is NAPNDILYXGSSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-17-14-12(8-5-9-13(14)16)15(19)18-10-11-6-3-2-4-7-11/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of N-benzyl-3-fluoro-2-(methylamino)benzamide?
N-benzyl-3-fluoro-2-(methylamino)benzamide 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 N-benzyl-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 55100092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).