5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide

C15H14F2N2O2 — CID 61290396

IUPAC5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H14F2N2O2/c1-9-6-7-10(18)8-11(9)14(20)19-12-4-2-3-5-13(12)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20)
InChIKeyIBUARQDJIYIHMS-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.43
Rot. Bonds4

About 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide

5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide (PubChem CID 61290396) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
PubChem CID61290396
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H14F2N2O2/c1-9-6-7-10(18)8-11(9)14(20)19-12-4-2-3-5-13(12)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20)
InChIKeyIBUARQDJIYIHMS-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.43
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

5-amino-N-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)benzamide
CID 91683152
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849265
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 851811
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-(5-amino-3-methyl-2-pyridinyl)-2-(difluoromethoxy)benzamide
CID 115910735
5-amino-N-(2-bromo-3-chlorophenyl)-2-methylbenzamide
CID 103477113

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide (CID 61290396) is 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide?
The InChIKey is IBUARQDJIYIHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-6-7-10(18)8-11(9)14(20)19-12-4-2-3-5-13(12)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide?
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide has a molecular weight of 292.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide is sourced from PubChem (CID 61290396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).