N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide

C15H14F2N2O — CID 43549901

IUPACN-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cc(N)c(F)cc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-9(2)5-10(4-8)15(20)19-14-7-13(18)11(16)6-12(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZDXDASJSOANYJK-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds2

About N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide

N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide (PubChem CID 43549901) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
PubChem CID43549901
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cc(N)c(F)cc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-9(2)5-10(4-8)15(20)19-14-7-13(18)11(16)6-12(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyZDXDASJSOANYJK-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
CID 103584318
N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
CID 43549828
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(5-amino-2,4-difluorophenyl)-3-hydroxybenzamide
CID 43549881
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126880
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide (CID 43549901) is N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2cc(N)c(F)cc2F)c1.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide?
The InChIKey is ZDXDASJSOANYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-3-9(2)5-10(4-8)15(20)19-14-7-13(18)11(16)6-12(14)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide?
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 43549901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).