methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate

C9H9ClN2O2 — CID 5417418

IUPACmethyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-2-4-8(10)5-3-7/h2-6H,1H3,(H,12,13)/b11-6-
InChIKeyNJFAYVPBAPEPQZ-WDZFZDKYSA-N
MW212.64 g/mol
LogP2.03
Rot. Bonds2

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

methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate (PubChem CID 5417418) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
PubChem CID5417418
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-2-4-8(10)5-3-7/h2-6H,1H3,(H,12,13)/b11-6-
InChIKeyNJFAYVPBAPEPQZ-WDZFZDKYSA-N
XLogP2.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
methyl N-[(Z)-(4-anilinophenyl)methylideneamino]carbamate
CID 7601967
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate (CID 5417418) is methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate is COC(=O)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate?
The InChIKey is NJFAYVPBAPEPQZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-2-4-8(10)5-3-7/h2-6H,1H3,(H,12,13)/b11-6-.
What are the key properties of methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate?
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate has a molecular weight of 212.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate is sourced from PubChem (CID 5417418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).