3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide

C15H14ClFN2O — CID 43426770

IUPAC3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-5-2-6-14(17)12(13)9-19-8-10-3-1-4-11(7-10)15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyNUEXCUITHOOAQJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP2.87
Rot. Bonds5

About 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide

3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide (PubChem CID 43426770) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
PubChem CID43426770
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-5-2-6-14(17)12(13)9-19-8-10-3-1-4-11(7-10)15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyNUEXCUITHOOAQJ-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate
CID 83211387
4-[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenoxy]benzamide
CID 68748456
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
CID 62537793
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 53278977
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide (CID 43426770) is 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide is NC(=O)c1cccc(CNCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide?
The InChIKey is NUEXCUITHOOAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-5-2-6-14(17)12(13)9-19-8-10-3-1-4-11(7-10)15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide?
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide has a molecular weight of 292.74 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 43426770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).