N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride

C15H13ClN2O2 — CID 134871397

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride
SMILESCOc1ccc(/C=N\N(C(=O)Cl)c2ccccc2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-14-9-7-12(8-10-14)11-17-18(15(16)19)13-5-3-2-4-6-13/h2-11H,1H3/b17-11-
InChIKeyPQFJWWZLAQMWTJ-BOPFTXTBSA-N
MW288.73 g/mol
LogP3.89
Rot. Bonds4

About N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride

N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride (PubChem CID 134871397) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride
PubChem CID134871397
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride
SMILESCOc1ccc(/C=N\N(C(=O)Cl)c2ccccc2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-14-9-7-12(8-10-14)11-17-18(15(16)19)13-5-3-2-4-6-13/h2-11H,1H3/b17-11-
InChIKeyPQFJWWZLAQMWTJ-BOPFTXTBSA-N
XLogP3.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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 N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride (CID 134871397) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride is COc1ccc(/C=N\N(C(=O)Cl)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride?
The InChIKey is PQFJWWZLAQMWTJ-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-14-9-7-12(8-10-14)11-17-18(15(16)19)13-5-3-2-4-6-13/h2-11H,1H3/b17-11-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride has a molecular weight of 288.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxyphenyl)methylideneamino]-N-phenylcarbamoyl chloride is sourced from PubChem (CID 134871397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).