3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide

C16H18FN3O — CID 82990211

IUPAC3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide
SMILESCc1c(F)cccc1Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C16H18FN3O/c1-10-12(17)5-4-6-14(10)19-15-8-7-11(9-13(15)18)16(21)20(2)3/h4-9,19H,18H2,1-3H3
InChIKeySGIPGYVLYPZXGC-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.16
Rot. Bonds3

About 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide

3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide (PubChem CID 82990211) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide
PubChem CID82990211
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide
SMILESCc1c(F)cccc1Nc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C16H18FN3O/c1-10-12(17)5-4-6-14(10)19-15-8-7-11(9-13(15)18)16(21)20(2)3/h4-9,19H,18H2,1-3H3
InChIKeySGIPGYVLYPZXGC-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(3-fluoro-2-methylanilino)benzamide
CID 55031084
3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide
CID 82991008
3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
3-amino-4-(2-fluoro-3-methylanilino)benzoic acid
CID 114254947
3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992737
3-amino-4-(3-bromo-2-methylanilino)-N-ethylbenzamide
CID 107633752
4-amino-3-(2-bromoanilino)-N,N-dimethylbenzamide
CID 63360647
4-amino-3-(2,4-dimethylanilino)-N,N-dimethylbenzamide
CID 63361174
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
methyl 2-amino-3-(3-fluoro-2-methylanilino)benzoate
CID 115545598
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide (CID 82990211) is 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide is Cc1c(F)cccc1Nc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide?
The InChIKey is SGIPGYVLYPZXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-12(17)5-4-6-14(10)19-15-8-7-11(9-13(15)18)16(21)20(2)3/h4-9,19H,18H2,1-3H3.
What are the key properties of 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide?
3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide has a molecular weight of 287.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-fluoro-2-methylanilino)-N,N-dimethylbenzamide is sourced from PubChem (CID 82990211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).