(4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate

C15H14ClN3O2 — CID 70344947

IUPAC(4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate
SMILESNc1ccccc1C=NNC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-7-5-11(6-8-13)10-21-15(20)19-18-9-12-3-1-2-4-14(12)17/h1-9H,10,17H2,(H,19,20)
InChIKeyHZWDUOSMPRRIAX-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.18
Rot. Bonds4

About (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate

(4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate (PubChem CID 70344947) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate
PubChem CID70344947
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name(4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate
SMILESNc1ccccc1C=NNC(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-7-5-11(6-8-13)10-21-15(20)19-18-9-12-3-1-2-4-14(12)17/h1-9H,10,17H2,(H,19,20)
InChIKeyHZWDUOSMPRRIAX-UHFFFAOYSA-N
XLogP3.18
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate (CID 70344947) is (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate is Nc1ccccc1C=NNC(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate?
The InChIKey is HZWDUOSMPRRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-7-5-11(6-8-13)10-21-15(20)19-18-9-12-3-1-2-4-14(12)17/h1-9H,10,17H2,(H,19,20).
What are the key properties of (4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate?
(4-chlorophenyl)methyl N-[(2-aminophenyl)methylideneamino]carbamate has a molecular weight of 303.75 g/mol, XLogP of 3.18, 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-[(2-aminophenyl)methylideneamino]carbamate is sourced from PubChem (CID 70344947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).