methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate

C22H15NO4 — CID 11639019

IUPACmethyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H15NO4/c1-27-22(26)16-9-4-5-12-18(16)23-21(25)17-11-6-10-14-13-7-2-3-8-15(13)20(24)19(14)17/h2-12H,1H3,(H,23,25)
InChIKeyRRMXJGGGDJCORU-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.94
Rot. Bonds3

About methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate

methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate (PubChem CID 11639019) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate
PubChem CID11639019
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC Namemethyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C22H15NO4/c1-27-22(26)16-9-4-5-12-18(16)23-21(25)17-11-6-10-14-13-7-2-3-8-15(13)20(24)19(14)17/h2-12H,1H3,(H,23,25)
InChIKeyRRMXJGGGDJCORU-UHFFFAOYSA-N
XLogP3.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid
CID 978386
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
Methyl 2-benzamidobenzoate
CID 347181
2'-[(2-Carboxyphenyl)carbamoyl]biphenyl-2-carboxylic acid
CID 1365358
3-Amino-5-[(9-oxofluorene-1-carbonyl)amino]benzoic acid
CID 57652702
Benzoic acid, 2,2'-((1,3-dioxo-2-(phenylmethylene)-1,3-propanediyl)diiino)bis-, dimethyl ester
CID 3071102
2-((2-Benzoylanilino)carbonyl)benzoic acid
CID 16019071
Methyl 2-(2-phenylacetamido)benzoate
CID 307343
2-(1-Naphthyl)-2-oxoethyl 2-(acetylamino)benzoate
CID 893218
2-(2-Naphthyl)-2-oxoethyl 2-(acetylamino)benzoate
CID 902723
4-Benzoylbenzyl 2-(acetylamino)benzoate
CID 1262376
Benzhydryl 2-(propanoylamino)benzoate
CID 1309991

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate (CID 11639019) is methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate?
The InChIKey is RRMXJGGGDJCORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO4/c1-27-22(26)16-9-4-5-12-18(16)23-21(25)17-11-6-10-14-13-7-2-3-8-15(13)20(24)19(14)17/h2-12H,1H3,(H,23,25).
What are the key properties of methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate?
methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate has a molecular weight of 357.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(9-oxofluorene-1-carbonyl)amino]benzoate is sourced from PubChem (CID 11639019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).