4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide

C22H19F2N3O3 — CID 56535734

IUPAC4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)ccc1C(N)=O
InChIInChI=1S/C22H19F2N3O3/c1-13-12-15(8-11-17(13)20(25)28)27-21(29)18-4-2-3-5-19(18)26-14-6-9-16(10-7-14)30-22(23)24/h2-12,22,26H,1H3,(H2,25,28)(H,27,29)
InChIKeyFHIXDUPRVQXZBT-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.69
Rot. Bonds7

About 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide

4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide (PubChem CID 56535734) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
PubChem CID56535734
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)ccc1C(N)=O
InChIInChI=1S/C22H19F2N3O3/c1-13-12-15(8-11-17(13)20(25)28)27-21(29)18-4-2-3-5-19(18)26-14-6-9-16(10-7-14)30-22(23)24/h2-12,22,26H,1H3,(H2,25,28)(H,27,29)
InChIKeyFHIXDUPRVQXZBT-UHFFFAOYSA-N
XLogP4.69
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide
CID 60557932
N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 55518556
2-anilino-N-(4-butan-2-yloxyphenyl)benzamide
CID 54784852
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N'-[2-[4-(difluoromethoxy)anilino]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55464322
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
N-(3,4-dimethylphenyl)-2-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 4944490
N-(3-acetamido-4-methylphenyl)-2-anilinobenzamide
CID 47058047

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide?
The IUPAC name of 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide (CID 56535734) is 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide?
The canonical SMILES for 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide is Cc1cc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)ccc1C(N)=O.
What is the InChIKey of 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide?
The InChIKey is FHIXDUPRVQXZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c1-13-12-15(8-11-17(13)20(25)28)27-21(29)18-4-2-3-5-19(18)26-14-6-9-16(10-7-14)30-22(23)24/h2-12,22,26H,1H3,(H2,25,28)(H,27,29).
What are the key properties of 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide?
4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide has a molecular weight of 411.41 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 56535734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).