N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide

C12H18FN5O2 — CID 83114769

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCN(C)C(=O)NCCNC(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H18FN5O2/c1-18(2)12(20)16-7-6-15-11(19)8-4-3-5-9(13)10(8)17-14/h3-5,17H,6-7,14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyUEUKZTSXHMPUDT-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.11
Rot. Bonds5

About N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide (PubChem CID 83114769) has the molecular formula C12H18FN5O2 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
PubChem CID83114769
Molecular FormulaC12H18FN5O2
Molecular Weight283.31 g/mol
Exact Mass283.14
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCN(C)C(=O)NCCNC(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H18FN5O2/c1-18(2)12(20)16-7-6-15-11(19)8-4-3-5-9(13)10(8)17-14/h3-5,17H,6-7,14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyUEUKZTSXHMPUDT-UHFFFAOYSA-N
XLogP0.11
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
CID 114175770
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 83109235
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
CID 62660783
3-fluoro-2-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62661142
N-[2-(dimethylcarbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034079
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide (CID 83114769) is N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide is CN(C)C(=O)NCCNC(=O)c1cccc(F)c1NN.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is UEUKZTSXHMPUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O2/c1-18(2)12(20)16-7-6-15-11(19)8-4-3-5-9(13)10(8)17-14/h3-5,17H,6-7,14H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 283.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 83114769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).