N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide

C26H27F2N3O3 — CID 67218627

IUPACN-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1OC(F)F)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C26H27F2N3O3/c27-26(28)34-23-16-9-6-13-20(23)25(33)29-18-10-2-5-17-24(32)31-22-15-8-7-14-21(22)30-19-11-3-1-4-12-19/h1,3-4,6-9,11-16,26,30H,2,5,10,17-18H2,(H,29,33)(H,31,32)
InChIKeyLZPZMIGVQKZIOB-UHFFFAOYSA-N
MW467.52 g/mol
LogP5.96
Rot. Bonds12

About N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide

N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide (PubChem CID 67218627) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide
PubChem CID67218627
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC NameN-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1OC(F)F)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C26H27F2N3O3/c27-26(28)34-23-16-9-6-13-20(23)25(33)29-18-10-2-5-17-24(32)31-22-15-8-7-14-21(22)30-19-11-3-1-4-12-19/h1,3-4,6-9,11-16,26,30H,2,5,10,17-18H2,(H,29,33)(H,31,32)
InChIKeyLZPZMIGVQKZIOB-UHFFFAOYSA-N
XLogP5.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
CID 7941475
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide (CID 67218627) is N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide is O=C(CCCCCNC(=O)c1ccccc1OC(F)F)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide?
The InChIKey is LZPZMIGVQKZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c27-26(28)34-23-16-9-6-13-20(23)25(33)29-18-10-2-5-17-24(32)31-22-15-8-7-14-21(22)30-19-11-3-1-4-12-19/h1,3-4,6-9,11-16,26,30H,2,5,10,17-18H2,(H,29,33)(H,31,32).
What are the key properties of N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide?
N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide has a molecular weight of 467.52 g/mol, XLogP of 5.96, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 67218627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).