N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide

C15H14F2N2O2 — CID 28973900

IUPACN-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
SMILESCc1cc(N)ccc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-7-11(18)5-6-13(9)19-14(20)10-3-2-4-12(8-10)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20)
InChIKeyLFJRJSWWEKTZPU-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.43
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide

N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide (PubChem CID 28973900) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
PubChem CID28973900
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
SMILESCc1cc(N)ccc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F2N2O2/c1-9-7-11(18)5-6-13(9)19-14(20)10-3-2-4-12(8-10)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20)
InChIKeyLFJRJSWWEKTZPU-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

3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
CID 43549460
N-(5-amino-3-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 115910671
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
4-(difluoromethoxy)-N-(2,4-dimethylphenyl)benzamide
CID 1224653
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
CID 56785873

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide (CID 28973900) is N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide is Cc1cc(N)ccc1NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The InChIKey is LFJRJSWWEKTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-7-11(18)5-6-13(9)19-14(20)10-3-2-4-12(8-10)21-15(16)17/h2-8,15H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide?
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide 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 N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 28973900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).