3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide

C15H15F2N3O — CID 82991008

IUPAC3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Nc2ccc(F)c(F)c2)c(N)c1
InChIInChI=1S/C15H15F2N3O/c1-20(2)15(21)9-3-6-14(13(18)7-9)19-10-4-5-11(16)12(17)8-10/h3-8,19H,18H2,1-2H3
InChIKeyBXJJBVZXEURNRK-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide

3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide (PubChem CID 82991008) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide
PubChem CID82991008
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Nc2ccc(F)c(F)c2)c(N)c1
InChIInChI=1S/C15H15F2N3O/c1-20(2)15(21)9-3-6-14(13(18)7-9)19-10-4-5-11(16)12(17)8-10/h3-8,19H,18H2,1-2H3
InChIKeyBXJJBVZXEURNRK-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.99
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)-N,N-dimethylbenzamide
CID 82990211
3-amino-4-(4-fluoro-3-methylanilino)benzamide
CID 55119022
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
methyl 2-amino-5-(3,4-difluoroanilino)benzoate
CID 61307073
4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
CID 81251794
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide (CID 82991008) is 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Nc2ccc(F)c(F)c2)c(N)c1.
What is the InChIKey of 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide?
The InChIKey is BXJJBVZXEURNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-20(2)15(21)9-3-6-14(13(18)7-9)19-10-4-5-11(16)12(17)8-10/h3-8,19H,18H2,1-2H3.
What are the key properties of 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide?
3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide is sourced from PubChem (CID 82991008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).