[1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate

C16H12Cl2N4O2 — CID 1475804

IUPAC[1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H12Cl2N4O2/c17-11-4-6-15(7-5-11)22-9-14(20-21-22)10-24-16(23)19-13-3-1-2-12(18)8-13/h1-9H,10H2,(H,19,23)
InChIKeyBNXHCCKBVDZANS-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.32
Rot. Bonds4

About [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate

[1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate (PubChem CID 1475804) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate
PubChem CID1475804
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC Name[1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C16H12Cl2N4O2/c17-11-4-6-15(7-5-11)22-9-14(20-21-22)10-24-16(23)19-13-3-1-2-12(18)8-13/h1-9H,10H2,(H,19,23)
InChIKeyBNXHCCKBVDZANS-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate?
The IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate (CID 1475804) is [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate?
The InChIKey is BNXHCCKBVDZANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c17-11-4-6-15(7-5-11)22-9-14(20-21-22)10-24-16(23)19-13-3-1-2-12(18)8-13/h1-9H,10H2,(H,19,23).
What are the key properties of [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate?
[1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate has a molecular weight of 363.20 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)triazol-4-yl]methyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 1475804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).