4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid

C24H21NO3 — CID 10022111

IUPAC4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H21NO3/c26-23(25-14-13-16-9-11-17(12-10-16)24(27)28)15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,26)(H,27,28)
InChIKeyKOHFRDBTQYPWDB-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.25
Rot. Bonds6

About 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid

4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid (PubChem CID 10022111) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid
PubChem CID10022111
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H21NO3/c26-23(25-14-13-16-9-11-17(12-10-16)24(27)28)15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,26)(H,27,28)
InChIKeyKOHFRDBTQYPWDB-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl benzoate
CID 23170808
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685
4-[2-(3-cyclobutylpropanoylamino)ethyl]benzoic acid
CID 120512953
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoate;hydrochloride
CID 119026107
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
4-[2-[[2-(tert-butylamino)acetyl]amino]ethyl]benzoic acid
CID 79256871
4-[2-[(3-amino-3-methylbutanoyl)amino]ethyl]benzoic acid
CID 64677982
4-[2-[[2-(prop-2-enylamino)acetyl]amino]ethyl]benzoic acid
CID 79278512
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]-2-[2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzoic acid
CID 10153330

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid (CID 10022111) is 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid is O=C(CC1c2ccccc2-c2ccccc21)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid?
The InChIKey is KOHFRDBTQYPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c26-23(25-14-13-16-9-11-17(12-10-16)24(27)28)15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,26)(H,27,28).
What are the key properties of 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid?
4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid has a molecular weight of 371.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 10022111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).