2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

C23H17Cl2NO4 — CID 103663760

IUPAC2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cccc(Cl)c1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H17Cl2NO4/c24-19-11-5-10-17(20(19)25)21(22(27)28)26-23(29)30-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-11,18,21H,12H2,(H,26,29)(H,27,28)
InChIKeyORXMKSRXMOLMML-UHFFFAOYSA-N
MW442.30 g/mol
LogP5.66
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (PubChem CID 103663760) has the molecular formula C23H17Cl2NO4 and a molecular weight of 442.30 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
PubChem CID103663760
Molecular FormulaC23H17Cl2NO4
Molecular Weight442.30 g/mol
Exact Mass441.05
IUPAC Name2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1cccc(Cl)c1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H17Cl2NO4/c24-19-11-5-10-17(20(19)25)21(22(27)28)26-23(29)30-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-11,18,21H,12H2,(H,26,29)(H,27,28)
InChIKeyORXMKSRXMOLMML-UHFFFAOYSA-N
XLogP5.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
CID 51441106
(3S)-3-(2,3-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7023354
3-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103666314
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid
CID 172569446
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
2-(5-bromo-2-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165441428
2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663924
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid
CID 5047789
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
2-[3-(difluoromethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103841374
2-(2,3-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664243
2-(5-bromo-2-methylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165441004

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (CID 103663760) is 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is O=C(NC(C(=O)O)c1cccc(Cl)c1Cl)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The InChIKey is ORXMKSRXMOLMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO4/c24-19-11-5-10-17(20(19)25)21(22(27)28)26-23(29)30-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-11,18,21H,12H2,(H,26,29)(H,27,28).
What are the key properties of 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid has a molecular weight of 442.30 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 103663760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).