2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide

C10H13FN4O2 — CID 83120721

IUPAC2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
SMILESNC(=O)NCCNC(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H13FN4O2/c11-6-1-2-7(8(12)5-6)9(16)14-3-4-15-10(13)17/h1-2,5H,3-4,12H2,(H,14,16)(H3,13,15,17)
InChIKeyGXPRUGMHLDLKHV-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.19
Rot. Bonds4

About 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide

2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide (PubChem CID 83120721) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
PubChem CID83120721
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC Name2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
SMILESNC(=O)NCCNC(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H13FN4O2/c11-6-1-2-7(8(12)5-6)9(16)14-3-4-15-10(13)17/h1-2,5H,3-4,12H2,(H,14,16)(H3,13,15,17)
InChIKeyGXPRUGMHLDLKHV-UHFFFAOYSA-N
XLogP-0.19
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide 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

2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 63110426
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
2-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62075015
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
CID 65108644

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide (CID 83120721) is 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide is NC(=O)NCCNC(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide?
The InChIKey is GXPRUGMHLDLKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c11-6-1-2-7(8(12)5-6)9(16)14-3-4-15-10(13)17/h1-2,5H,3-4,12H2,(H,14,16)(H3,13,15,17).
What are the key properties of 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide?
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide has a molecular weight of 240.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 83120721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).