ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane

C24H25NO4 — CID 159037890

IUPACethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane
SMILESC.CC.O=C(Nc1ccccc1C(=O)O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO4.C2H6.CH4/c23-20(24)17-11-5-6-12-18(17)22-21(25)26-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19;1-2;/h1-12,19H,(H,22,25)(H,23,24);1-2H3;1H4
InChIKeyJVRJFKWWXLZQKN-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.37
Rot. Bonds3

About ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane

ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane (PubChem CID 159037890) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane.

Molecular Properties

Compound Nameethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane
PubChem CID159037890
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Nameethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane
SMILESC.CC.O=C(Nc1ccccc1C(=O)O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO4.C2H6.CH4/c23-20(24)17-11-5-6-12-18(17)22-21(25)26-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19;1-2;/h1-12,19H,(H,22,25)(H,23,24);1-2H3;1H4
InChIKeyJVRJFKWWXLZQKN-UHFFFAOYSA-N
XLogP6.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 170843062
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2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
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5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
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2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]benzoic acid
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2-(2,2,2-trifluoroethoxycarbonylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane?
The IUPAC name of ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane (CID 159037890) is ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane.
What is the SMILES notation for ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane?
The canonical SMILES for ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane is C.CC.O=C(Nc1ccccc1C(=O)O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane?
The InChIKey is JVRJFKWWXLZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4.C2H6.CH4/c23-20(24)17-11-5-6-12-18(17)22-21(25)26-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19;1-2;/h1-12,19H,(H,22,25)(H,23,24);1-2H3;1H4.
What are the key properties of ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane?
ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane has a molecular weight of 391.47 g/mol, XLogP of 6.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane is sourced from PubChem (CID 159037890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).