3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide

C13H14F2N4O — CID 65236987

IUPAC3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCCc2cnc[nH]2)cc1F
InChIInChI=1S/C13H14F2N4O/c1-16-12-10(14)4-8(5-11(12)15)13(20)18-3-2-9-6-17-7-19-9/h4-7,16H,2-3H2,1H3,(H,17,19)(H,18,20)
InChIKeyRLKURDSDLACPAE-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.70
Rot. Bonds5

About 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide

3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide (PubChem CID 65236987) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
PubChem CID65236987
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCCc2cnc[nH]2)cc1F
InChIInChI=1S/C13H14F2N4O/c1-16-12-10(14)4-8(5-11(12)15)13(20)18-3-2-9-6-17-7-19-9/h4-7,16H,2-3H2,1H3,(H,17,19)(H,18,20)
InChIKeyRLKURDSDLACPAE-UHFFFAOYSA-N
XLogP1.70
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327
3-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzamide
CID 104852790
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-methylpyridine-4-carboxamide
CID 113379256
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 65236814
4,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65232187
1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 10825620
2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
CID 114035047
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 63183539
2-(1H-imidazol-5-yl)ethylurea
CID 10582986

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide (CID 65236987) is 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NCCc2cnc[nH]2)cc1F.
What is the InChIKey of 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide?
The InChIKey is RLKURDSDLACPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-16-12-10(14)4-8(5-11(12)15)13(20)18-3-2-9-6-17-7-19-9/h4-7,16H,2-3H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide?
3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide has a molecular weight of 280.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylamino)benzamide is sourced from PubChem (CID 65236987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).