(4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate

C16H14Cl2N2O4 — CID 67355474

IUPAC(4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate
SMILESO=C(NNC(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O4/c17-13-5-1-11(2-6-13)9-23-15(21)19-20-16(22)24-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyANBKPPUASHHMKM-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.06
Rot. Bonds4

About (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate

(4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate (PubChem CID 67355474) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate
PubChem CID67355474
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name(4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate
SMILESO=C(NNC(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O4/c17-13-5-1-11(2-6-13)9-23-15(21)19-20-16(22)24-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyANBKPPUASHHMKM-UHFFFAOYSA-N
XLogP4.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Bis(phenylmethyl) 1,2-hydrazinedicarboxylate
CID 220554
Di-p-chlorobenzyl Azodicarboxylate(DCAD)
CID 11990352
Di-(4-chlorobenzyl)azodicarboxylate
CID 51979911
(4-chlorophenyl)methyl (NZ)-N-[(4-chlorophenyl)methoxycarbonylimino]carbamate
CID 16218364
4-Chlorobenzyl carbamate
CID 13433129
benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 146162370
benzyl N-[(4-chlorophenyl)methoxycarbonyl]carbamate
CID 15105070
benzyl N-[(2-chlorophenyl)methoxycarbonyl]carbamate
CID 15105071
(4-chlorophenyl)methyl N-aminocarbamate
CID 13494890
benzyl N-aminocarbamate;carbonyl dichloride
CID 20134458
[[[(Phenylmethoxy)carbonyl]hydrazino]carbonyl]chloride
CID 21681927
benzyl N-(2-phenylethoxycarbonylamino)carbamate
CID 57038582

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate (CID 67355474) is (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate is O=C(NNC(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate?
The InChIKey is ANBKPPUASHHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c17-13-5-1-11(2-6-13)9-23-15(21)19-20-16(22)24-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate?
(4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate has a molecular weight of 369.20 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[(4-chlorophenyl)methoxycarbonylamino]carbamate is sourced from PubChem (CID 67355474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).