(3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid

C16H13Cl2NO4 — CID 70623114

IUPAC(3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid
SMILESO=C(O)N(c1ccc(Cl)c(Cl)c1)c1ccccc1C1OCCO1
InChIInChI=1S/C16H13Cl2NO4/c17-12-6-5-10(9-13(12)18)19(16(20)21)14-4-2-1-3-11(14)15-22-7-8-23-15/h1-6,9,15H,7-8H2,(H,20,21)
InChIKeyIYFLOWRXLGJPNQ-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.85
Rot. Bonds3

About (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid

(3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid (PubChem CID 70623114) has the molecular formula C16H13Cl2NO4 and a molecular weight of 354.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid
PubChem CID70623114
Molecular FormulaC16H13Cl2NO4
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name(3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid
SMILESO=C(O)N(c1ccc(Cl)c(Cl)c1)c1ccccc1C1OCCO1
InChIInChI=1S/C16H13Cl2NO4/c17-12-6-5-10(9-13(12)18)19(16(20)21)14-4-2-1-3-11(14)15-22-7-8-23-15/h1-6,9,15H,7-8H2,(H,20,21)
InChIKeyIYFLOWRXLGJPNQ-UHFFFAOYSA-N
XLogP4.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid?
The IUPAC name of (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid (CID 70623114) is (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid is O=C(O)N(c1ccc(Cl)c(Cl)c1)c1ccccc1C1OCCO1.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid?
The InChIKey is IYFLOWRXLGJPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO4/c17-12-6-5-10(9-13(12)18)19(16(20)21)14-4-2-1-3-11(14)15-22-7-8-23-15/h1-6,9,15H,7-8H2,(H,20,21).
What are the key properties of (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid?
(3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid has a molecular weight of 354.19 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]carbamic acid is sourced from PubChem (CID 70623114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).