4-amino-3-fluoro-N,N,5-trimethylbenzamide

C10H13FN2O — CID 177300697

IUPAC4-amino-3-fluoro-N,N,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)cc(F)c1N
InChIInChI=1S/C10H13FN2O/c1-6-4-7(10(14)13(2)3)5-8(11)9(6)12/h4-5H,12H2,1-3H3
InChIKeyPDFLLJBNLOMNHX-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.42
Rot. Bonds1

About 4-amino-3-fluoro-N,N,5-trimethylbenzamide

4-amino-3-fluoro-N,N,5-trimethylbenzamide (PubChem CID 177300697) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-amino-3-fluoro-N,N,5-trimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N,N,5-trimethylbenzamide
PubChem CID177300697
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name4-amino-3-fluoro-N,N,5-trimethylbenzamide
SMILESCc1cc(C(=O)N(C)C)cc(F)c1N
InChIInChI=1S/C10H13FN2O/c1-6-4-7(10(14)13(2)3)5-8(11)9(6)12/h4-5H,12H2,1-3H3
InChIKeyPDFLLJBNLOMNHX-UHFFFAOYSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide
CID 177301592
6-amino-N,N,5-trimethylpyridine-3-carboxamide;ethane
CID 178150598
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
4-amino-3,5-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 63185021
4-aminosulfanyl-3-fluoro-N,N-dimethylbenzamide;ethane
CID 142522795
4-amino-3,5-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 63187509
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
4-amino-N,N-dimethyl-3,5-dinitrobenzamide
CID 86098772
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N,N,5-trimethylbenzamide?
The IUPAC name of 4-amino-3-fluoro-N,N,5-trimethylbenzamide (CID 177300697) is 4-amino-3-fluoro-N,N,5-trimethylbenzamide.
What is the SMILES notation for 4-amino-3-fluoro-N,N,5-trimethylbenzamide?
The canonical SMILES for 4-amino-3-fluoro-N,N,5-trimethylbenzamide is Cc1cc(C(=O)N(C)C)cc(F)c1N.
What is the InChIKey of 4-amino-3-fluoro-N,N,5-trimethylbenzamide?
The InChIKey is PDFLLJBNLOMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-6-4-7(10(14)13(2)3)5-8(11)9(6)12/h4-5H,12H2,1-3H3.
What are the key properties of 4-amino-3-fluoro-N,N,5-trimethylbenzamide?
4-amino-3-fluoro-N,N,5-trimethylbenzamide has a molecular weight of 196.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N,N,5-trimethylbenzamide is sourced from PubChem (CID 177300697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).