2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride

C11H16ClFN4O3 — CID 120829397

IUPAC2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N.Cl
InChIInChI=1S/C11H15FN4O3.ClH/c1-6(14-2)5-15-11(17)8-3-7(12)4-9(10(8)13)16(18)19;/h3-4,6,14H,5,13H2,1-2H3,(H,15,17);1H
InChIKeyOCDQYORXJWEVAL-UHFFFAOYSA-N
MW306.73 g/mol
LogP1.08
Rot. Bonds5

About 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride

2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride (PubChem CID 120829397) has the molecular formula C11H16ClFN4O3 and a molecular weight of 306.73 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
PubChem CID120829397
Molecular FormulaC11H16ClFN4O3
Molecular Weight306.73 g/mol
Exact Mass306.09
IUPAC Name2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N.Cl
InChIInChI=1S/C11H15FN4O3.ClH/c1-6(14-2)5-15-11(17)8-3-7(12)4-9(10(8)13)16(18)19;/h3-4,6,14H,5,13H2,1-2H3,(H,15,17);1H
InChIKeyOCDQYORXJWEVAL-UHFFFAOYSA-N
XLogP1.08
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120832941
2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120827594
2-amino-N-(2,2-dimethylbutyl)-5-fluoro-3-nitrobenzamide
CID 106548251
2-amino-5-fluoro-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 103709597
2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
CID 107123296
N-(2,3-dimethylbutyl)-2,5-difluoro-3-nitrobenzamide
CID 107122121
4,5-dimethoxy-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120833156
4-methoxy-N-[2-(methylamino)propyl]-5-methylsulfanyl-2-nitrobenzamide;hydrochloride
CID 120830990
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-fluoro-3-nitrobenzamide
CID 107123097
2-amino-5-fluoro-N-(2-hydroxyethyl)-3-nitro-N-propan-2-ylbenzamide
CID 103829178
2-amino-5-fluoro-3-nitrobenzoic acid;ethane
CID 144759902
2-amino-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 103877691

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The IUPAC name of 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride (CID 120829397) is 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The canonical SMILES for 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride is CNC(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N.Cl.
What is the InChIKey of 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The InChIKey is OCDQYORXJWEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3.ClH/c1-6(14-2)5-15-11(17)8-3-7(12)4-9(10(8)13)16(18)19;/h3-4,6,14H,5,13H2,1-2H3,(H,15,17);1H.
What are the key properties of 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride has a molecular weight of 306.73 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120829397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).