5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide

C10H12FN5O4 — CID 83114921

IUPAC5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide
SMILESNC(=O)NCCNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN5O4/c11-6-4-8(16(19)20)5(3-7(6)12)9(17)14-1-2-15-10(13)18/h3-4H,1-2,12H2,(H,14,17)(H3,13,15,18)
InChIKeyIGMDKEMOJROHPQ-UHFFFAOYSA-N
MW285.24 g/mol
LogP-0.29
Rot. Bonds5

About 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide

5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide (PubChem CID 83114921) has the molecular formula C10H12FN5O4 and a molecular weight of 285.24 g/mol. Its IUPAC name is 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide
PubChem CID83114921
Molecular FormulaC10H12FN5O4
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide
SMILESNC(=O)NCCNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FN5O4/c11-6-4-8(16(19)20)5(3-7(6)12)9(17)14-1-2-15-10(13)18/h3-4H,1-2,12H2,(H,14,17)(H3,13,15,18)
InChIKeyIGMDKEMOJROHPQ-UHFFFAOYSA-N
XLogP-0.29
TPSA153.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide 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

5-amino-4-fluoro-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62155193
5-amino-4-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 62185312
5-amino-4-fluoro-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 62187203
5-amino-4-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236991
5-amino-4-fluoro-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 104765639
5-amino-4-fluoro-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 63247819
5-amino-4-fluoro-N-(2-fluorophenyl)-2-nitrobenzamide
CID 62155395
N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
CID 103740689
5-amino-N-butan-2-yl-4-fluoro-2-nitrobenzamide
CID 55043102
5-amino-4-fluoro-2-nitro-N-pentan-2-ylbenzamide
CID 62152144
5-amino-4-fluoro-2-nitro-N-(thiolan-3-ylmethyl)benzamide
CID 107298197
N-(4-amino-4-oxobutyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62236532

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide?
The IUPAC name of 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide (CID 83114921) is 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide is NC(=O)NCCNC(=O)c1cc(N)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide?
The InChIKey is IGMDKEMOJROHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O4/c11-6-4-8(16(19)20)5(3-7(6)12)9(17)14-1-2-15-10(13)18/h3-4H,1-2,12H2,(H,14,17)(H3,13,15,18).
What are the key properties of 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide?
5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide has a molecular weight of 285.24 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(carbamoylamino)ethyl]-4-fluoro-2-nitrobenzamide is sourced from PubChem (CID 83114921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).