3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide

C15H14F2N2O — CID 103584318

IUPAC3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-10(6-11(18)4-8)15(20)19-14-7-12(16)9(2)5-13(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyXRFUJOHAWNNNJE-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds2

About 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide

3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide (PubChem CID 103584318) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
PubChem CID103584318
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2cc(F)c(C)cc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-10(6-11(18)4-8)15(20)19-14-7-12(16)9(2)5-13(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyXRFUJOHAWNNNJE-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'}

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Related Compounds

N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
N-(2,5-difluoro-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107704386
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
2-amino-6-chloro-N-(2,5-difluoro-4-methylphenyl)pyridine-4-carboxamide
CID 103587247
5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 107186123
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
N-(2,5-difluoro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 103586314
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 103587390

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide?
The IUPAC name of 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide (CID 103584318) is 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2cc(F)c(C)cc2F)c1.
What is the InChIKey of 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide?
The InChIKey is XRFUJOHAWNNNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-3-10(6-11(18)4-8)15(20)19-14-7-12(16)9(2)5-13(14)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide?
3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide 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 3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide is sourced from PubChem (CID 103584318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).