2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate

C22H16NO4- — CID 6958000

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2,(H,23,26)(H,24,25)/p-1
InChIKeyCNAVPEPPAVHHKN-UHFFFAOYSA-M
MW358.37 g/mol
LogP3.41
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate

2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate (PubChem CID 6958000) has the molecular formula C22H16NO4- and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
PubChem CID6958000
Molecular FormulaC22H16NO4-
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
SMILESO=C(Nc1ccccc1C(=O)[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2,(H,23,26)(H,24,25)/p-1
InChIKeyCNAVPEPPAVHHKN-UHFFFAOYSA-M
XLogP3.41
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbenzoic acid
CID 22569039
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
CID 127018509
5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 10873832
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
CID 46737340
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl N-(5-amino-2-hydroxyphenyl)carbamate
CID 130987687
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate (CID 6958000) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate is O=C(Nc1ccccc1C(=O)[O-])OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate?
The InChIKey is CNAVPEPPAVHHKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2,(H,23,26)(H,24,25)/p-1.
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate?
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate has a molecular weight of 358.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate is sourced from PubChem (CID 6958000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).