5-amino-4-fluoro-N,2-dimethylbenzamide

C9H11FN2O — CID 130507342

IUPAC5-amino-4-fluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C9H11FN2O/c1-5-3-7(10)8(11)4-6(5)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyFVSGDQCUVZNJAT-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.08
Rot. Bonds1

About 5-amino-4-fluoro-N,2-dimethylbenzamide

5-amino-4-fluoro-N,2-dimethylbenzamide (PubChem CID 130507342) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-amino-4-fluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-4-fluoro-N,2-dimethylbenzamide
PubChem CID130507342
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name5-amino-4-fluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C9H11FN2O/c1-5-3-7(10)8(11)4-6(5)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyFVSGDQCUVZNJAT-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
CID 102705403
(5-amino-4-fluoro-2-methylphenyl)-(azepan-1-yl)methanone
CID 114271606
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
6-amino-N,4-dimethylpyridine-3-carboxamide
CID 131967585
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
4-amino-3-(2,5-difluoro-4-methylanilino)-N-methylbenzamide
CID 103584458
5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
3,5-difluoro-N,2-dimethylbenzamide
CID 67627187

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-N,2-dimethylbenzamide?
The IUPAC name of 5-amino-4-fluoro-N,2-dimethylbenzamide (CID 130507342) is 5-amino-4-fluoro-N,2-dimethylbenzamide.
What is the SMILES notation for 5-amino-4-fluoro-N,2-dimethylbenzamide?
The canonical SMILES for 5-amino-4-fluoro-N,2-dimethylbenzamide is CNC(=O)c1cc(N)c(F)cc1C.
What is the InChIKey of 5-amino-4-fluoro-N,2-dimethylbenzamide?
The InChIKey is FVSGDQCUVZNJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5-3-7(10)8(11)4-6(5)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-4-fluoro-N,2-dimethylbenzamide?
5-amino-4-fluoro-N,2-dimethylbenzamide has a molecular weight of 182.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-N,2-dimethylbenzamide is sourced from PubChem (CID 130507342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).