[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid

C19H16ClN3O2 — CID 57425649

IUPAC[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid
SMILESO=C(O)NC(c1ccc(Cl)cc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C19H16ClN3O2/c20-16-7-5-13(6-8-16)18(23-19(24)25)17(14-3-1-9-21-11-14)15-4-2-10-22-12-15/h1-12,17-18,23H,(H,24,25)
InChIKeyODDQDDVXWUWYRO-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.27
Rot. Bonds5

About [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid

[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid (PubChem CID 57425649) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid
PubChem CID57425649
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid
SMILESO=C(O)NC(c1ccc(Cl)cc1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C19H16ClN3O2/c20-16-7-5-13(6-8-16)18(23-19(24)25)17(14-3-1-9-21-11-14)15-4-2-10-22-12-15/h1-12,17-18,23H,(H,24,25)
InChIKeyODDQDDVXWUWYRO-UHFFFAOYSA-N
XLogP4.27
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid?
The IUPAC name of [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid (CID 57425649) is [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid.
What is the SMILES notation for [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid?
The canonical SMILES for [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid is O=C(O)NC(c1ccc(Cl)cc1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid?
The InChIKey is ODDQDDVXWUWYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-7-5-13(6-8-16)18(23-19(24)25)17(14-3-1-9-21-11-14)15-4-2-10-22-12-15/h1-12,17-18,23H,(H,24,25).
What are the key properties of [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid?
[1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid has a molecular weight of 353.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2,2-dipyridin-3-ylethyl]carbamic acid is sourced from PubChem (CID 57425649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).