N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide

C21H15F5N2O2 — CID 17398533

IUPACN-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C21H15F5N2O2/c1-30-12-8-6-11(7-9-12)28-21(29)13-4-2-3-5-15(13)27-10-14-16(22)18(24)20(26)19(25)17(14)23/h2-9,27H,10H2,1H3,(H,28,29)
InChIKeyOTARURLHQMGVFU-UHFFFAOYSA-N
MW422.35 g/mol
LogP5.26
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide

N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide (PubChem CID 17398533) has the molecular formula C21H15F5N2O2 and a molecular weight of 422.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
PubChem CID17398533
Molecular FormulaC21H15F5N2O2
Molecular Weight422.35 g/mol
Exact Mass422.11
IUPAC NameN-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C21H15F5N2O2/c1-30-12-8-6-11(7-9-12)28-21(29)13-4-2-3-5-15(13)27-10-14-16(22)18(24)20(26)19(25)17(14)23/h2-9,27H,10H2,1H3,(H,28,29)
InChIKeyOTARURLHQMGVFU-UHFFFAOYSA-N
XLogP5.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 16577157
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
2-[(2,6-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 29425469
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
[2-fluoro-3-[(4-methoxyphenyl)carbamoyl]phenyl]boronic acid
CID 99738152

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide (CID 17398533) is N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide is COc1ccc(NC(=O)c2ccccc2NCc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
The InChIKey is OTARURLHQMGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2O2/c1-30-12-8-6-11(7-9-12)28-21(29)13-4-2-3-5-15(13)27-10-14-16(22)18(24)20(26)19(25)17(14)23/h2-9,27H,10H2,1H3,(H,28,29).
What are the key properties of N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide has a molecular weight of 422.35 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide is sourced from PubChem (CID 17398533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).