4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide

C13H18FN3O2 — CID 43567882

IUPAC4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
SMILESCC(C)NC(=O)CNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-8(2)17-12(18)7-16-6-10-5-9(13(15)19)3-4-11(10)14/h3-5,8,16H,6-7H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyOJXVLMYLBMMQNY-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.54
Rot. Bonds6

About 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide

4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide (PubChem CID 43567882) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
PubChem CID43567882
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
SMILESCC(C)NC(=O)CNCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H18FN3O2/c1-8(2)17-12(18)7-16-6-10-5-9(13(15)19)3-4-11(10)14/h3-5,8,16H,6-7H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyOJXVLMYLBMMQNY-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(4-hydroxypentylamino)methyl]benzamide
CID 106131097
4-fluoro-3-[(2-methylsulfinylpropylamino)methyl]benzamide
CID 113484065
3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide
CID 113477255
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
4-fluoro-3-[(2-methoxyethylamino)methyl]benzamide
CID 28565646
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
3-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]-4-fluorobenzamide
CID 79099918

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide (CID 43567882) is 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide is CC(C)NC(=O)CNCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide?
The InChIKey is OJXVLMYLBMMQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8(2)17-12(18)7-16-6-10-5-9(13(15)19)3-4-11(10)14/h3-5,8,16H,6-7H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide?
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide has a molecular weight of 267.30 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 43567882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).