4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

C21H25F2N3O3 — CID 24535249

IUPAC4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1OC(F)F
InChIInChI=1S/C21H25F2N3O3/c1-14-12-16(5-6-17(14)26-10-8-25(2)9-11-26)24-20(27)15-4-7-18(29-21(22)23)19(13-15)28-3/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,27)
InChIKeyXLTPMNWKBJRJIB-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.61
Rot. Bonds6

About 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 24535249) has the molecular formula C21H25F2N3O3 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID24535249
Molecular FormulaC21H25F2N3O3
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1OC(F)F
InChIInChI=1S/C21H25F2N3O3/c1-14-12-16(5-6-17(14)26-10-8-25(2)9-11-26)24-20(27)15-4-7-18(29-21(22)23)19(13-15)28-3/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,27)
InChIKeyXLTPMNWKBJRJIB-UHFFFAOYSA-N
XLogP3.61
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
CID 24535262
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 5299498

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 24535249) is 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is XLTPMNWKBJRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3/c1-14-12-16(5-6-17(14)26-10-8-25(2)9-11-26)24-20(27)15-4-7-18(29-21(22)23)19(13-15)28-3/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,27).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 24535249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).