cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid

C17H23Cl2NO3 — CID 66895809

IUPACcyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(c1cc(CCO)cc(Cl)c1Cl)N(C(=O)O)C1CC1
InChIInChI=1S/C17H23Cl2NO3/c1-17(2,3)15(20(16(22)23)11-4-5-11)12-8-10(6-7-21)9-13(18)14(12)19/h8-9,11,15,21H,4-7H2,1-3H3,(H,22,23)
InChIKeyYJTNTHUMMLDOBM-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.76
Rot. Bonds5

About cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid

cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid (PubChem CID 66895809) has the molecular formula C17H23Cl2NO3 and a molecular weight of 360.28 g/mol. Its IUPAC name is cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Namecyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
PubChem CID66895809
Molecular FormulaC17H23Cl2NO3
Molecular Weight360.28 g/mol
Exact Mass359.11
IUPAC Namecyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid
SMILESCC(C)(C)C(c1cc(CCO)cc(Cl)c1Cl)N(C(=O)O)C1CC1
InChIInChI=1S/C17H23Cl2NO3/c1-17(2,3)15(20(16(22)23)11-4-5-11)12-8-10(6-7-21)9-13(18)14(12)19/h8-9,11,15,21H,4-7H2,1-3H3,(H,22,23)
InChIKeyYJTNTHUMMLDOBM-UHFFFAOYSA-N
XLogP4.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid (CID 66895809) is cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid is CC(C)(C)C(c1cc(CCO)cc(Cl)c1Cl)N(C(=O)O)C1CC1.
What is the InChIKey of cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
The InChIKey is YJTNTHUMMLDOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO3/c1-17(2,3)15(20(16(22)23)11-4-5-11)12-8-10(6-7-21)9-13(18)14(12)19/h8-9,11,15,21H,4-7H2,1-3H3,(H,22,23).
What are the key properties of cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid?
cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid has a molecular weight of 360.28 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2,3-dichloro-5-(2-hydroxyethyl)phenyl]-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 66895809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).