(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate

C14H11ClN4O2 — CID 10662163

IUPAC(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
SMILES[N-]=[N+]=Nc1ccc(COC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClN4O2/c15-11-3-7-12(8-4-11)17-14(20)21-9-10-1-5-13(6-2-10)18-19-16/h1-8H,9H2,(H,17,20)
InChIKeyHZEUFNYDENOPQT-UHFFFAOYSA-N
MW302.72 g/mol
LogP5.03
Rot. Bonds4

About (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate

(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate (PubChem CID 10662163) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
PubChem CID10662163
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
SMILES[N-]=[N+]=Nc1ccc(COC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClN4O2/c15-11-3-7-12(8-4-11)17-14(20)21-9-10-1-5-13(6-2-10)18-19-16/h1-8H,9H2,(H,17,20)
InChIKeyHZEUFNYDENOPQT-UHFFFAOYSA-N
XLogP5.03
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.72
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (4-azidophenyl)methyl N-(4-chlorophenyl)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

(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
methyl N-(4-azidophenyl)carbamate
CID 142621312
(1-methylpyridin-1-ium-4-yl)methyl N-(4-chlorophenyl)carbamate iodide
CID 163342725
2-[(4-azidophenyl)methoxycarbonylamino]-2-methylpropanoic acid
CID 135300649
O-[(4-azidophenyl)methyl] N-(4-methylphenyl)carbamothioate
CID 154606080
(4-chlorophenyl)methyl N-[4-[(carbonocyanidoylamino)methyl]phenyl]carbamate
CID 171824303
2-[[(4-azidophenyl)methoxycarbonylamino]methoxy]acetic acid
CID 168986605
(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
CID 171824215
(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
(4-azidophenyl)methyl N-(4-fluorophenyl)sulfanylcarbamate
CID 155004586
N-(4-azidophenyl)acetamide
CID 4315161
(4-chlorophenyl)methyl N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]carbamate
CID 171824737

Frequently Asked Questions

What is the IUPAC name of (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate?
The IUPAC name of (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate (CID 10662163) is (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate is [N-]=[N+]=Nc1ccc(COC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate?
The InChIKey is HZEUFNYDENOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-11-3-7-12(8-4-11)17-14(20)21-9-10-1-5-13(6-2-10)18-19-16/h1-8H,9H2,(H,17,20).
What are the key properties of (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate?
(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate has a molecular weight of 302.72 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidophenyl)methyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 10662163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).