2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

C23H22F2N4O3 — CID 56523212

IUPAC2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C23H22F2N4O3/c1-15-11-12-26-20(13-15)28-21(30)14-29(2)22(31)18-5-3-4-6-19(18)27-16-7-9-17(10-8-16)32-23(24)25/h3-13,23,27H,14H2,1-2H3,(H,26,28,30)
InChIKeyVBWFFGOYLPMQHM-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.45
Rot. Bonds8

About 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide

2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 56523212) has the molecular formula C23H22F2N4O3 and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID56523212
Molecular FormulaC23H22F2N4O3
Molecular Weight440.45 g/mol
Exact Mass440.17
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccnc(NC(=O)CN(C)C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C23H22F2N4O3/c1-15-11-12-26-20(13-15)28-21(30)14-29(2)22(31)18-5-3-4-6-19(18)27-16-7-9-17(10-8-16)32-23(24)25/h3-13,23,27H,14H2,1-2H3,(H,26,28,30)
InChIKeyVBWFFGOYLPMQHM-UHFFFAOYSA-N
XLogP4.45
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-(4-methoxyanilino)-N-(4-methyl-2-pyridinyl)benzamide
CID 52612517
2-(difluoromethoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 42052918
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(4-methoxyanilino)-N-methylbenzamide
CID 55957168
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
CID 56535734
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 95294721
2-fluoro-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 56523214
2-[(4-methoxybenzoyl)amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 38008073
2-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 42056084

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 56523212) is 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is Cc1ccnc(NC(=O)CN(C)C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is VBWFFGOYLPMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3/c1-15-11-12-26-20(13-15)28-21(30)14-29(2)22(31)18-5-3-4-6-19(18)27-16-7-9-17(10-8-16)32-23(24)25/h3-13,23,27H,14H2,1-2H3,(H,26,28,30).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide?
2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 440.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 56523212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).