1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C38H32F3N3O3 — CID 67628269

IUPAC1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1c(-c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cn2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C38H32F3N3O3/c1-2-3-13-29-27(19-20-30-26-14-7-8-15-28(26)35(34(29)30)37(46)43-23-38(39,40)41)32-21-18-24(22-42-32)44-36(45)31-16-9-10-17-33(31)47-25-11-5-4-6-12-25/h4-12,14-22,35H,2-3,13,23H2,1H3,(H,43,46)(H,44,45)
InChIKeyAMYVTLPXYIPOFS-UHFFFAOYSA-N
MW635.69 g/mol
LogP8.93
Rot. Bonds10

About 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67628269) has the molecular formula C38H32F3N3O3 and a molecular weight of 635.69 g/mol. Its IUPAC name is 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound Name1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67628269
Molecular FormulaC38H32F3N3O3
Molecular Weight635.69 g/mol
Exact Mass635.24
IUPAC Name1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCCc1c(-c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cn2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2
InChIInChI=1S/C38H32F3N3O3/c1-2-3-13-29-27(19-20-30-26-14-7-8-15-28(26)35(34(29)30)37(46)43-23-38(39,40)41)32-21-18-24(22-42-32)44-36(45)31-16-9-10-17-33(31)47-25-11-5-4-6-12-25/h4-12,14-22,35H,2-3,13,23H2,1H3,(H,43,46)(H,44,45)
InChIKeyAMYVTLPXYIPOFS-UHFFFAOYSA-N
XLogP8.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.69
LogP ≤ 58.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide with MolForge

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Related Compounds

1-butyl-2-[2-methyl-4-[(2-phenoxybenzoyl)amino]imidazol-1-yl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67628664
2-(5-benzamidobenzimidazol-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67630112
2-(3-benzamidopyrrolidin-1-yl)-1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67656104
1-butyl-2-[4-[(2,5-difluorobenzoyl)amino]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67651104
2-amino-3-(6-benzamido-3-pyridinyl)-1-propyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67628180
[1-(4-butoxybutyl)-9-(2,2,2-trifluoroethylcarbamoyl)-9H-fluoren-2-yl]-oxo-(oxolan-2-ylmethoxy)phosphanium
CID 67628982
2-phenoxy-N-phenylbenzamide
CID 3402306
N-pentyl-1-[3-[(2-phenoxybenzoyl)amino]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67656008
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
CID 39567819
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67628269) is 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCCc1c(-c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cn2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2.
What is the InChIKey of 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is AMYVTLPXYIPOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32F3N3O3/c1-2-3-13-29-27(19-20-30-26-14-7-8-15-28(26)35(34(29)30)37(46)43-23-38(39,40)41)32-21-18-24(22-42-32)44-36(45)31-16-9-10-17-33(31)47-25-11-5-4-6-12-25/h4-12,14-22,35H,2-3,13,23H2,1H3,(H,43,46)(H,44,45).
What are the key properties of 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 635.69 g/mol, XLogP of 8.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[5-[(2-phenoxybenzoyl)amino]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67628269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).